The title compound (C₂₂H₁₈N₂O₄) crystallizes in monoclinic space group P2₁/n with one-half molecule in the asymmetric unit. The complete molecule is generated by inversion symmetry. The structure was solved by direct methods and refined by full-matrix least-squares procedures to a final R = 0.046 and wR = 0.1187 using 2766 reflections. The piperazine and the cyclo-pentane rings adopt chair and envelope conformations, respectively. The molecular packing is stabilized by C-H…O and π…π interactions in addition to van der Walls forces.

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The title compound was synthesized and its crystal structure was determined by X-ray diffraction analysis. The compound is monoclinic, space group P2₁/a with Z = 4. The unit-cell dimensions are a = 12.287(2)Å, b = 3.8287(5)Å, c = 16.0936(19)Å, β = 97.409° and V = 750.77(19)ų. The R value is 0.0313 for 1223 observed reflections. Intermolecular hydrogen bonds of the type N-H…O and N-H…N were observed in the structure.

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In the title electron donor-acceptor complex, C₂₈H₂₄N₂·2C₆N₄, the 9,9′-diethyl-3,3′-di-9H-carbazolyl molecule lies on a crystallographic inversion center, which is located at the mid-point of the C3-C3′ bond. In the crystal structure, two TCNE molecules are located above and below the central rings of the two neighboring donor molecules. The donor molecule is planar with a dihedral angle between the planes of each carbazolyl groups of 0.08(8)°. The molecular packing is stabilized mainly by donor-acceptor π-π interactions.

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A new type of inclusion compound, (S)-2-isopropyl-N-benzyl-4,7,10,13-tetraoxa-8,9-benzo-1-azacyclopentadec-8-ene (1), has been prepared and studied by single-crystal X-ray diffraction techniques. The compound crystallizes in monoclinic space group C2 with cell dimensions a = 19.411(2), b = 6.1904(9), c = 19.780(2)Å, β = 110.166(9)°, Z = 4. The crown ether oxygen atoms are nearly coplanar and the N1 atom deviates from the oxygen mean plane by -0.755 Å. The C-O and C-C distances of the 15-membered ring average 1.405(7) and 1.506(7)Å, while the O-C-C and C-O-C angles average 110.8(5)° and 116.6(4)°. The N-C-C and C-N-C angles average 112.4(4)° and 115.1(4)°.

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The crystal-structure properties of [(I₃Ga)₂{P(C₆H₂Bu^t₃-2,4,6)CH}₂]·(C₇H₈) are: monoclinic, space group C2/c with a = 17.506(4)Å, b = 14.799(3)Å, c = 22.861(5)Å, β = 104.85(3)°, V = 5725(2)ų, Z = 4, R₁ = 0.0735, wR₂ = 0.1781 for 3869 reflections (I > 2σ(I)). The title compound represents the first structurally characterized complex of a 1,4-diphosphabutadiene with a main-group metal fragment.

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The crystal structure of a colorless complex of [CH₃OC₆H₄COCH₂P(p·tolyl)₃]₂[Hg₂I₆] was determined by the X-ray diffraction method. All atoms occupy general positions in the monoclinic space group, P2₁/n and have the following unit-cell dimensions: a = 11.5933(11)Å, b = 22.842(3)Å, c = 12.2271(12)Å, β = 103.719(8)°, Z = 4 and V = 3145.5(6)ų. The final R value is 0.0582.

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The crystal structure of bis-cis-(+)-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-3-yl-oxalate was determined as being orthorhombic, space group P2₁2₁2₁, with lattice parameters a = 9.654(6)Å, b = 13.256(1)Å, c = 25.841(3)Å, Z = 4, V = 3307.1(6)ų and D_calc = 1.355 Mg m^-3. The compound crystallizes with one disordered water molecule. The carbonyl groups in the oxalate bridge are trans oriented, as indicated by the torsion angle [O(20)=C(19)-C(19′)=O(20′)] -151.5(3)°. Both 1,5-benzothiazepine rings in the molecule adopt a similar type of twist boat conformation.

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The title compounds (C₁₄H₁₁O₂SBr) are cis and trans-isomers of 4-bromophenylstyrylsulfone. These compounds crystallize in monoclinic space groups C2/c and P2₁/c, respectively. The cell parameters for cis are: a = 14.866(2)Å, b = 14.133(3)Å, c = 12.830(2)Å, β = 90.58(1)°, Z = 8, V = 2657.88(4)ų and D_calc = 1.615 Mg m^-3; trans are: a = 6.964(1)Å, b = 10.840(1)Å, c = 17.583(10)Å, β = 94.09(2)°, Z = 4, V = 1324.1(10)ų and D_calc = 1.621 Mg m^-3. The geometries of both molecules were compared. In the cis-isomer, the groups at C(7) and C(8) are cis oriented, as the torsion angle is 3.9(1)°, whereas in the trans-isomer the angle is 175.2(3)°, indicating that, the orientation is trans. The cis-isomer molecule exhibits a folded structure compared to the trans-isomer. In the molecular packing, two adjacent molecules form square-shaped structures in the crystal. This is one of the important facets of the molecular packing.

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The crystal structure of [BrHgL], L = 1,3-bis(2-methoxybenzene) triazene was determined by X-ray diffraction. The complex crystallizes in the triclinic system: space group P1 with a = 10.8481(5), b = 11.3836(6), c = 14.0304(11)Å, α = 100.904(1)°, β = 99.091(5)°, γ = 106.451(5)°, V = 1589.98(18)ų, Z = 4. The structure was solved by full-matrix least-squares on F², and had a refined R value of 0.0565 for 7123 reflections (I > 2σ(I)). The Hg atom is coordinated by a Br^- ion as well as two N atoms of the title ligand in a planar geometry.

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The title compound, C₁₃H₉ClN₄O, crystallizes in the orthorhombic system, space group P2₁2₁2₁, with cell constants a = 7.0902(2)Å, b = 13.1021(7)Å, c = 13.4033(7)Å and Z = 4. In the crystal, the molecules are linked by a combination of C-H…N and C-H…O intermolecular hydrogen bonds and π-π interactions of imidazopyrimidine and phenyl systems into a continuous three-dimensional framework structure.

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The title complex is triclinic, P1, a = 7.585(3), b = 7.688(4), c = 12.737(6)Å, α = 83.22(2), β = 73.731(19), γ = 63.38(2)°, V = 637.4(5)°³, and Z = 2 at -150°C; R is 0.0242. The structure shows a one-dimensional polymer extending along [111] with two crystallographically independent inversion centers lying at the middle of the C-C bond of each bridging ethylenediamine (en). The Pb atom is coordinated by two I atoms and four N atoms: the two I atoms occupy a cis-position, the two N atoms of a chelating en lie opposed to them, and the four atoms lie in a plane containing the Pb atom; the other two N atoms of the bridging en ligands lie at both axial positions. Since the I-Pb-I angle is 144.57(1)° wide, the Pb environment geometry might be described as being a distorted pentagonal bipyramid, providing a stereochemically active lone pair of electrons of the Pb atom may occupy one coordination site.

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The reaction between [Ag(PPh₃)₃(NO₃)] and 1-phenyl-3-(4-nitrophenyl) triazene 1-oxide desprotonated with potassium hydroxide in methanol yields crystalline [Ag(O₂NC₆H₄NNNOC₆H₅)(C₁₈H₁₅P)₂], the first mononuclear triazenido 1-oxide complex of Ag(I) including a [Ag(PPh₃)₂]⁺ fragment. In the asymmetric title complex, the coordination geometry about the Ag⁺ ion is tetrahedral, with one triazenido 1-oxide anion acting as a bidentate ligand (four-electron donor). The crystal belongs to the monoclinic system, space group P2₁/c with the cell dimensions a = 19.551(7), b = 19.342(9), c = 11.124(6)Å, β = 95.453(15)°, V = 4187(3)ų, Z = 4.

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The crystal structure of [Pb(μ₃-Nic)₂]_n, (HNic = 4-nicotinic acid) is orthorhombic, space group Pbcn with a = 16.595(1), b = 10.028(1), c = 14.635(1)Å and Z = 2. The crystal structure was solved by direct methods and refined by full-matrix least squares to final values of R1 = 0.0277 and wR2 = 0.0609 with 3553 reflections I >2σ(I). The lead(II) ion in [Pb(μ₃-Nic)₂]_n is eight-coordinate and the direction of the Pb-N and Pb-O bonds shows that the coordination around the lead(II) ion is holodirected.

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The title compound, C₁₆H₁₃N, consists of a benzoato group fused to the c-face of the carbazole skeleton, in which the benzoato fused ring of the carbazole skeleton is not planar and adopts a twisted conformation. It belongs to the space group Pbca with cell parameters a = 7.6863(10), b = 20.5484(9) and c = 15.0296(11)Å.

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A solid complex of neodymium picrate with a novel amide-type tripodal ligand, 2,2′,2″-nitrilotris(3′-pyridinyl-methylaminoformylphenoxyl)triethylamine (L), has been prepared. An X-ray single-crystal diffraction analysis indicates that this complex was crystallized in the trigonal system, space group R3c with parameters a = b = 15.430(7)Å, c = 112.448(7)Å, α = β = 90.00°, γ = 120.00°, V = 23187(2)ų, Z = 6. The structure was refined to a final R₁ of 0.0463. The coordination number around Nd(III) was nine, and the geometry of Nd(III) is a distorted tricapped trigonal prism. In the structure of the title complex, a 2D supramolecular network is formed by hydrogen bonds interactions.

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In the monomeric complex [Zn((3,4,5-MeO-ba)₂en)Br₂], the Zn(II) atom has a distorted tetrahedral coordination, and is covalently bonded to two Br atoms and datively bonded to two N atoms of the Schiff base. The crystal structure of this complex was determined by X-ray crystallography from single crystal data.

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The crystal structure of the title compound, C₂₀H₁₉NOCl₂, confirms that the bicyclic ring system adopts the chair-chair conformation. The phenyl rings are equatorially disposed with respect to the bicyclic ring. There is a slight deviation from the chair conformation in the case of the cyclohexane ring.

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The title compound, 4-hydroxy-3-[(2-oxo-2H-chromen-3-yl)-(3,4,5-trimethoxyphenyl)methyl]chromen-2-one, C₂₈H₂₂NO₉, as a dimer C₅₆H₄₄O₁₈ M_r = 1004.91, crystallizes in the monoclinic system, space group C2/c with cell constants: a = 3599.8(4)pm, b = 900.7(1)pm, c = 1460.7(2)pm, β = 98.02(1)°, V = 4.690(1)nm³, Z = 4. The 4-hydroxycoumarins are intra-molecularly hydrogen bonded between hydroxyls and carbonyls.

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In the title compound, [Cu(Meca₂en)(CH₃CN)I] (Meca₂en = N,N′-bis(α-methylcinnamaldehyde)ethylenediamine), the Cu(I) atom has a distorted tetrahedral coordination. The organic Schiff-base ligand is bidentate, coordinating the copper(I) atom via two imine N atoms.

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N-[(E)-3,3-diphenylprop-2-enylidene]-1-(4-aminophenyl)ethanone, (Phca-acan), was obtained from a condensation reaction of β-phenylcinnamaldehyde and p-acetylaniline and characterized by single-crystal X-ray diffraction. In this compound, the central C=N bond length is 1.275(2)Å, which conforms to the value for a double bond. The molecule is slightly non-planar with the substituents adopting an E configuration with respect to the imine C=N bond.

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The title compound, [2,6-(C₂H₅)₂C₆H₃NH₃]Cl, crystallizes in the monoclinic space group P2₁/a with a = 8.633(2), b = 20.530(2), c = 12.129(2)Å, β = 90.48(2)° and V = 2149.4(6). The atomic arrangement can be described as corrugated ribbons, containing ammonium groups of the organic cations and chloride anions. As well as electrostatic and van der Walls interactions, the component species interact through multiple hydrogen bonds.

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The biclotymol-DMF 1:1 solvate crystallizes in the triclinic system, space group P1, with the following unit-cell parameters: a = 9.141(2)Å, b = 11.636(10)Å, c = 13.279(4)Å, α = 64.50(4)°, β = 77.39(2)°, γ = 79.74(5)°, V = 1238.4(12)ų and Z = 2. The crystal structure was solved with a final R = 0.0721 using 2625 independent reflections. An O-H…O hydrogen bond links each biclotymol molecule to a DMF molecule. The structure was solved as part of a more general investigation into the polymorphism and solvation of biclotymol, a pulmonary antiseptic.

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The crystal structure of N-(4-chloro-2-hydroxyphenyl)-5-methoxysalicylaldimine was determined by X-ray diffraction at room temperature. The compound crystallizes in an orthorhombic system, and space group P2₁2₁2₁. Unit-cell dimensions are the following: a = 7.3074(5)Å, b = 8.3166(7)Å, c = 21.782(2)Å, V = 1323.7(2)ų, Z = 4. The molecule is non-planar and twisted around a C-N single bond. The molecule has N…H-O type intramolecular hydrogen bonding.

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The triphenylphosphine (PPh₃) displaces the acetonitrile from [PdCl₂(CH₃CN)₂], and subsequent addition of the potassium cyanate causes substitution of the chloro ligand by NCO^- to yield trans-[Pd(NCO)₂(PPh₃)₂]. The complex was characterized by elemental analysis, IR spectroscopy and single-crystal X-ray diffraction. The title compound was crystallized in a triclinic system, space group P1 with a = 9.213(3)Å, b = 9.781(7)Å, c = 10.483(5)Å, α = 111.39(5)°, β = 93.49(3)°, γ = 103.81(4)°, V = 845.0(1)ų, Z = 1. The coordination geometry around Pd(II) in this complex is nearly square-planar, with the ligands in a trans relationship.

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The dinuclear azido-palladium(II) complex [Pd₂(N₃)₄(PPh₃)₂(μ-ted)], where PPh₃ = triphenylphosphine and ted = triethylenediamine, was synthesized and characterized by single-crystal X-ray diffraction. The title compound was crystallized in a triclinic system, space group P1 with a = 11.5875(2)Å, b = 13.0817(3)Å, c = 15.2618(3)Å, α = 93.306(2)°, β =110.040(1)°, γ = 98.486(1)°, V = 2134.95(8)ų, Z = 2. Each Pd(II) center displays a distorted square-planar coordination environment formed by two N atoms from two trans terminally coordinated azido groups, one P atom from the phosphine and one N atom from the bridging ted ligand.

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The title compound, (E)-4-bromo-2-[(4-hydroxyphenyl)iminomethyl]phenylen-1-olate, C₁₃H₁₀BrNO₂, is in a zwitterionic form with a strong intramolecular N⁺-H…O^- hydrogen bond. The title compound crystallizes in the monoclinic space group P2₁/c with the following unit-cell parameters: a = 12.6746(11)Å, b = 12.8195(15)Å, c = 7.1576(7)Å, β = 94.993(7)° and V = 1158.6(2)ų. The crystal structure of this compound was solved by direct methods and refined to a final R = +0.0362 for 2285 reflections with I > 2σ(I).

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The title compound, C₂₈H₂₅N₃OS, has has been characterized by single-crystal X-ray diffraction. It crystallizes in the triclinic system, space group P1 (No. 2), a = 10.058(3), b = 10.318(3), c = 13.560(3)Å, α = 98.694(19), β = 107.418(19), γ = 107.069(19)°; V = 1238.7(5)ų and D_x = 1.211 Mg m^-3, Z = 2. The structure was refined to an R-value of 0.0573 for 1749 observed reflections using three-dimensional X-ray diffraction data. The pyrimidine ring is slightly distorted from planarity, with the maximum deviation from the mean plane of -0.072(4)Å for atom C1. The molecules contain four rings that are not coplanar. The dihedral angles between three benzene rings are 44.6(3), 77.6(2) and 87.4(2)°. The three benzene rings form dihedral angles of 31.4(2), 57.4(2) and 61.2(2)° with the pyrimidine ring. No classic hydrogen bonds were found.

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The title material was synthesised by the treatment of [Zn{S₂CN(Et)(Ph)}₂]₂ with excess 2-ethyl-2-oxazoline. The crystal system is triclinic (space group P1 and Z = 2). The unit-cell dimensions are a = 10.2310(4)Å, b = 11.4701(5)Å, c = 12.1981(5)Å with α = 85.952(1)°, β = 75.174(1)°, γ = 72.442(1)° and V = 1319.30(9)ų. The final R value is 0.0248 (4641 observed reflections: I > 2σ(I)). The Zn atom coordinates with two chelating dithiocarbamato groups and one N-bound oxazoline.

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The crystal structure of Ir(1-piq)2(pic-3-OH) (1-piq = 1-phenylisoquinoline, pic-3-OH = 3-hydroxypicolinate) was determined by X-ray crystallography. The complex crystallized in the triclinic system, space group P1, with a = 10.6477(7)Å, b = 11.9891(8)Å, c = 14.7693(9)Å, α = 94.758(1)°, β = 105.936(10)°, γ = 114.140(1)°, Z = 2, V = 1612.92(18)ų, and R = 0.0305. The crystal structure consists of a distorted octahedral geometry around the iridium.

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The title compound, C₁₂H₁₃NO₄S₃, crystalizes in the monoclinic P1 space group. The unit-cell parameters of the title compound are a = 6.7172(6), b = 8.7344(8), c = 13.9471(13)Å, α = 99.471(7), β = 91.206(7), γ = 104.792(7), V = 778.68(13)ų, D_x = 1.414 g/cm³, Z = 2, T = 293 K. The crystal structure is stabilized by inter and intramolecular C-H…O hydrogen-bonding interactions.

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In the title compound, C₂₂H₃₀N₅O₇Cr, the chromium(III) atom adopts a distorted octahedral geometry. At the metal atom the ligands (L) are oriented in a meridional fashion. In the crystal lattice, the molecules are linked via N-H…O, O-H…O and C-H…O intermolecular interactions. In addition, the structure is further stabilized by C-H…π interactions.

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The crystal of the title compound, C₂₇H₄₂ClNO₂·H₂O, belongs to space group P2₁/a with cell dimensions of a = 9.37(6), b = 13.23(7), c = 22.5(2)Å, and β = 92.03(1)°. The final R value is 0.076. The molecule takes a folded conformation with the distance between the centroids of the two phenyl rings being 8.93 Å. The dihedral angle between the two phenyl rings is 48.3°.

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The crystal of the title compound, C₁₄H₁₈N₂OSi, belongs to space group P1 with cell dimensions of a = 6.2639(3), b = 10.818(1), c = 12.085(1)Å, α = 69.976(4), β = 76.959(5), and γ = 81.566(3)°. The final R value is 0.0486. The isoxazoline ring takes an envelope conformation. The dihedral angle between the isoxazoline and phenyl rings is 103.9(1)°. The Si-C bond bridging the isoxazoline ring and trimethylsilyl group is significantly longer than the other three Si-C bonds.

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The crystal structure of [{(η⁵-C₅Me₅)Fe(CO)₂In(C₆H₂Bu^t₃-2,4,6)}₂(μ-F)]⁺(BF₄)^-·3CH₂Cl₂ was obtained, revealing the following properties: triclinic, space group P1 with a = 13.9482(2), b = 14.7621(2), c = 18.9520(2)Å, α = 104.9195(6), β = 93.6985(7), γ = 97.1409(5)°, Z = 2, R = 0.059 and wR2 = 0.133 for all 19611 unique reflections. The In-F-In bridging unit is characterized by In-F distances of 2.1674(18) and 2.1637(18)Å and by an In-F-In angle of 171.28(11)°; each indium centre is planar three-coordinate (Σangles at indium = 360°, within the standard 3σ limit, in each case) with In-Fe distances of 2.4740(5) and 2.4760(5)Å and Fe-In-C_ipso angles of 153.75(8) and 154.79(9)°.

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The title compound was synthesized and characterized by single-crystal X-ray diffraction. This complex was solved in the tetragonal system, space group P4₁2₁2, with the following unit-cell parameters: a = 13.6010(3)Å, c = 13.1885(6)Å, Z = 4, V = 2439.70(13)ų. The final R value was R1 = 0.0259 for 27567 measured reflections.

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The title compound, ccc-[Ru(5mazpy)₂Cl₂] (5mazpy = 5-methyl-2-(phenylazo)pyridine) crystallized in monoclinic, space group P2₁/c with unit-cell parameters: a = 14.348(1)Å, b = 12.705(1)Å, c = 13.968(1)Å, β = 111.18(1)°, Z = 4. According to the pairs of Cl, N(pyridine), and N(azo) coordinating with the Ru(II) ion, this complex has a cis-cis-cis (ccc) configuration. The Ru-N(azo) distances are relatively shorter than the Ru-N(pyridine) distances, due to strong π-backbonding of the azo moiety.

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The title compound, C₁₄H₁₄N₈S₂·2C₂H₆OS, crystallizes in the monoclinic space group P2₁/c with a = 12.866(5), b = 8.126(3), c = 11.833(4)Å, β = 101.239(9)°, Z = 2, D_x = 1.409 g cm^-3. In the solid states, N2-H2A…O1 and C4-H4A…S1 hydrogen bonds link 2 molecules of solvent (Me₂SO) to I.

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t-Butyl coumarin-3-carbamate (1), which was prepared by the reaction of t-butanol with coumarin-3-carbonyl azide, has herbicidal activities. The crystal structure of 1 was analyzed by single-crystal X-ray diffraction. The carbamate group makes an angle of 8.16(5)° with the coumarin ring. Intermolecular C-H…O interactions were observed in the crystal structure.

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A pair of dinucleating ligands, 2,6-bis[bis(2-methoxyethyl)aminomethyl]-4-methylphenolate (bomp^-), incorporates two sodium ions to form a dinuclear sodium complex, [Na₂(bomp)₂] (C₄₂H₇₄N₄Na₂O₁₀). It crystallizes in the monoclinic space group P2₁/c with dimensions a = 19.9993(4)Å, b = 9.9700(2)Å, c = 24.3473(7)Å, β = 98.8492(7)°, and V = 4796.89(19)ų and with Z = 4. The two sodium ions are bridged by two phenoxo oxygen atoms of the bomp ligands to form a bis(μ-phenoxo)-dinuclear sodium(I) core structure. The Na…Na distance is 3.3261(6)Å, and each sodium ion has a distorted octahedral geometry.

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The title compound, C₂₁H₂₀N₂O₂S, consists of planar quinoline, phenyl and thiazole rings. The quinoline ring is oriented with respect to the phenyl and thiazole rings at dihedral angles of 87.22(5)° and 81.05(4)°, respectively. It belongs to the space group P1 with cell parameters a = 7.9709(4)Å, b = 9.7038(3)Å, c = 12.8167(5)Å, α = 78.484(2)°, β = 76.584(3)° and γ = 78.126(4)°. In the crystal structure, intermolecular C-H…N hydrogen bonds link the molecules into R₂²(14) centrosymmetric dimers.

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The crystal structure of [Cu(PMBP)(PPh₃)₂]BF₄·CH₂Cl₂ (PMBP = 1-phenyl-3-methyl-4-benzoyl-pyrazolon-5-ato) was determined by X-ray crystallography. The complex crystallized in the triclinic system, space group P1, with a = 9.6864(6), b = 13.6845(9), c = 20.0329(13)Å, α = 102.119(1), β = 94.865(1), γ = 105.120(1)°, Z = 2, V = 2478.8(3)ų, and R = 0.0498. The Cu(II) ion is coordinated by two O donor atoms from PMBP and two P atoms from triphenylphosphine molecules to form a distorted tetrahedral geometry.

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The title compound, 3-acetyl-6-methoxy-2H-1-benzopyran-2-one, C₁₂H₁₀O₄, M_r = 218.20, crystallizes in the triclinic system, space group P1, with cell constants a = 5.424(1)Å, b = 8.409(2)Å, c = 11.579(2)Å, α = 104.58(2)°, β = 99.29(1)°, γ = 90.97(2)°, V = 503.49(17)ų and Z = 2.

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The X-ray structure of the compound dimethyl 2,7-dimethyl-pyrrolo[1,2-b]pyridazine-5,6-dicarboxylate was determined to establish the molecular geometry and conformation of its novel 6,5-bicyclic system. The compound crystallizes in the space group P2₁/n with a = 7.9910(2)Å, b = 13.4005(3)Å, c = 11.7950(3)Å, β = 90.213(1)°, and Z = 4. A puckering analysis indicated a screw-boat conformation for the six-membered ring with the torsion angle C2-C3-C4-C5 having a magnitude of 34.5(2)°.

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The crystal structure of the natural phenylpolyene all-trans (E)-8-methyl-13-phenyltrideca-4,6,8,10,12-pentaen-3-one (1), asperenone, is reported here. The crystal is monoclinic, space group C2/c with a = 21.2390(4)Å, b = 7.9176(1)Å, c = 19.7493(4)Å, β = 100.2770(8)° and Z = 8. The bond lengths and angles were determined. The plane of the polyene chain in 1 is slightly twisted with respect to the plane of the benzene ring.

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The crystal structure properties of 1,3,6-tribromocarbazole (1) are: orthorhombic, space group Pna2₁ with a = 17.3110(3)Å, b = 4.5608(2)Å, c = 14.9606(2)Å, V = 1181.17(6)ų, Z = 4, R₁ = 0.0267, wR₂ = 0.0594 for the 2677 reflections (I > 3σ(I)). The solid state structure of 1 consists of layers of stacked molecules, with hydrogen bonding between the N-H bonds and the Br atoms of molecules on neighbouring stacks (H…Br distances = 2.840(1)Å).

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A copper(I) complex with ethylenethiourea and 4,4′-bipyridine, [Cu₂(µ-4,4′-bipy)(etu)₄Br₂]·2(4,4′-bipy), was prepared by reacting copper bromide with 4,4′-bipyridine(4,4′-bipy) and ethylenethiourea (etu) under suitable conditions. It was characterized by single-crystal X-ray diffraction. The compound crystallizes in monoclinic space group P2₁/n (No. 14) with cell parameters: a = 7.9932(10), b = 12.9500(15), c = 23.8221(3)Å, β = 94.183(2)°, Z = 2 and V = 2459.3(5)ų. The final residual, (R), factor is 0.0392 for 3592 measured reflections. The intra and intermolecular hydrogen bonds are dominantly effective in stabilizing the crystal structure.

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The biclotymol-DMSO 1:1 solvate crystallizes in the monoclinic system, space group P2₁/c, with the following unit-cell parameters: a = 11.611(4)Å, b = 16.427(5)Å, c = 14.904(6)Å, β = 119.51(3)°, V = 2474.1(15)ų and Z = 4. The crystal structure was solved with a final R = 0.0651 using 2660 independent reflections. As part of a more general investigation into the polymorphism and solvation of the pulmonary antiseptic biclotymol, this structure shows a conformation of the biclotymol molecule different from the conformation previously found, as well in the biclotymol-DMF 1:1 solvate, as in the usual biclotymol raw material.

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C₂₁H₂₅Br₂ClCuN₂O₆ is tetragonal, P4₃2₁2; the unit-cell parameters at 120(2)K are a = 13.5447(3)Å, c = 13.6524(7)Å, Z = 4, V = 2504.65(15)ų and D_x = 1.751 g cm^-3. The final R value was R1 = 0.0259 for 2480 reflections with I > 2σ(I). The complex cation is nearly planar and has a 2-fold symmetry and constructed from mixed-chelates of diamine and acetylacetonate. Two ClO₄^- ions are bound weakly above and below of the chelate plane, so that the coordination environment around the copper ion is approximately octahedral. The five-membered ring containing nitrogen and carbon atoms is puckered.

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Bis[O,O′-di(p-tolyl)thiophosphoryl]disulfide crystallizes in the space group P2₁/c with a = 11.145(2)Å, b = 7.965(7)Å, c = 17.065(2)Å, β = 90.300(1)° and Z = 2. Both distorted tetrahedrally coordinated phosphorus atoms have two p-MeC₆H₄O groups, which are oriented in such a way that each is centro symmetrically related to the mid point of the S-S bond, resulting in the equivalent p-MeC₆H₄O groups being co-planar and a P-S-S-P torsion angle of 179.02(4)°.

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In the title compound, C₁₂H₁₁F₃N₂O₂, the diazepin ring adopts a skewed boat conformation. The methyl group and the trifluoroacetyl group are trans to each other. The molecule is stabilized by C-H…O intermolecular hydrogen bonds in a two-dimensional network.

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