The crystal structure of 4-amino-3-(4′-chlorophenyl)-4H-[1,2,4]-triazolo-5-thiol (ACPTT) was determined by crystallographic methods. There are two crystallographically independent molecules in the asymmetric unit and are related by pseudo inversion symmetry with each other. A number of C-H…N and N-H…N types of intermolecular interactions stabilize the molecules in the unit cell in addition to van der Waals forces.

抄録全体を表示

The title compound is an antianginal agent. The crystal, C₁₄H₂₂N₂O₃·2HCl·1/2H₂O, belongs to space group P2₁/a with cell dimensions of a = 13.139(6), b = 7.452(5), c = 17.991(8)Å, β = 93.20(4)°. The final R value is 0.081. The piperazine ring takes a chair conformation. The dihedral angle between the least-squares planes of the piperazine and phenyl rings is 60.3(6)°. The methylene carbon atom bonded to the phenyl ring is significantly deviated from the plane of the phenyl ring.

抄録全体を表示

The title copper(I) complex crystallizes in the triclinic space group P1 with cell parameters a = 9.1932(18), b = 9.1550(18), c = 16.757(4)Å, α = 84.72(2), β = 86.45(2), γ = 65.20(2)°, V = 1274.5(4)ų, Z = 2, D_cal = 1.386 g/cm³ and T = 220(2)K. The structure was refined to the final R1 = 0.0491 using all 4570 observed reflections. The complex is monomeric with a terminal cyano group C-coordinated to the copper atom. The solid-state structure consists of a distorted tetrahedron geometry around the copper with an N₂P donor set.

抄録全体を表示

The crystal structure of 4-ethoxycoumarin, which has antimicrobial activity, has been determined. The molecule has a planar conformation with a deviation of 0.014(2)Å from the best plane, defined by the chromone moiety. The coplanar ethoxy group is connected with a trans conformation. The angles around the C3 atom give the ethoxy group a tilt to the C4 direction. There is a type of intermolecular-hydrogen bond between the O3 atom of the ethoxy group and the hydrogen of the phenyl ring.

抄録全体を表示

An equimolar mixture of margaric acid (n-heptadecanoic acid) and nicotinamide (3-pyridinecarboxamide) in acetone yields crystals of a 1:1 complex, C_l7H₃₄O₂·C₆H₆N₂O. Margaric acid forms a lamellar structure and its alkyl chain has an all-trans conformation. The carboxamide group of nicotinamide forms hydrogen bond sequences along the b axis.

抄録全体を表示

The nickel(II) and zinc(II) complexes of 6-ethyldibenzo[b,i]-1,4,8,11-tetraazacyclotetradeca-4,6-diene were synthesized and their crystal structures were determined by single-crystal X-ray diffractometry. The crystal system of NiLCl is monoclinic with the space group of P2₁/c and Z = 4. The unit cell dimensions are a = 8.452(2)Å, b = 12.781(3)Å and c = 17.893(3)Å with β = 98.38(2)°, V = 1912.2(7)ų. The crystal system of ZnLCl is monoclinic with the space group of C2/c and Z = 8. The unit cell dimensions are a = 24.860(3)Å, b = 11.209(2)Å and c = 18.252(2)Å with β = 116.959(7)°, V = 4533.4(9)ų. The nickel(II) ion of NiLCl is coordinated through four nitrogen atoms to form a square-planar geometry and the zinc(II) ion has a square-pyramid geometry with four nitrogen atoms in a plane and one chloride atom at an axial position.

抄録全体を表示

The crystal structure of Cu(NIT2Py)₂(N₃)₂ (NIT2Py = 2-(2′-pyridyl)-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide) was determined by the X-ray diffraction method. This compound crystallizes in monoclinic, space group P2₁/c with a = 9.2293(18), b = 10.579(2), c = 14.965(3)Å, β = 100.31(3)°, V = 1437.5(5)ų, Z = 2. The final R value is 0.0587 for 2204 reflections (I > 2σ(I)). The complex is centrosymmetric, and the copper(II) ion is six-coordinated in a distorted octahedral environment: two nitrogen atoms from the NIT2Py, two nitrogen atoms from the azide groups in the basal plane and two oxygen atoms from the NIT2Py in the axial position.

抄録全体を表示

The crystal structure of (4-vinylpyridine)[2-[2-acetyl-2-(ethoxycarbonyl)ethyl]-8-quinolinol-C,N,O]palladium(II) was determined by X-ray diffraction analysis. The compound crystallizes in the monoclinic space group P2₁/n with a = 8.274(4)Å, b = 19.087(9)Å, c = 13.084(6)Å, β = 94.335(5)°, V = 2060(1)ų, and Z = 4. The final R value is 0.075. The crystal structure reveals that the complex has a 5,5-chelate ring system, that the geometry around Pd(II) is described as a distorted square-planar, and that the pyridine ring is almost perpendicular to the quinoline ring.

抄録全体を表示

The crystal structure of 5,10,15,20-tetramethyl-21H,23H-porphine vanadium(IV) oxide, VO(TMP), has been determined. Monoclinic, P2₁/a, a = 14.298(5), b = 13.445(4), c = 19.895(6)Å, β = 97.487(2). Z = 8, C₂₄H₂₀N₄OV.

抄録全体を表示

The title compound, C₉H₁₀N₃Cl, crystallizes in the monoclinic system, space group P2₁/c, with cell constants a = 7.690(1)Å, b = 8.608(1)Å, c = 14.201(1)Å, β = 101.66(1) and Z = 4. The partially saturated imidazoline ring adopts a half-chair conformation with delocalization of the π-electrons between the C2-N3 and C2-N6 bonds of the guanidine moiety. The strong intermolecular hydrogen bond N6-H61…N3 is observed.

抄録全体を表示

The crystal structure of [DMphen]⁺ ClO₄^- (DMphen = 2,9-dimethyl-1,10-phenanthroline) is monoclinic, space group P2₁/n with a = 6.7247(7), b = 19.278(2), c = 10.3682(11)Å and Z = 4. The crystal structure was solved by direct methods and refined by a full-matrix least squares method to final values of R1 = 0.0600 and wR2 = 0.408 with 2246 reflections (I > 2σ(I)). There is a π-π stacking interaction between the parallel cationic aromatic rings, and also the [DMphen]⁺ cation is involved in hydrogen bonding, acting as a donor with an O atom of a perchlorate ion as an acceptor.

抄録全体を表示

The structure of H₂Me₂bpzb (1,2-bis(2-pyrazinecarboxamido)-4,5-dimethylbenzene) was determined by X-ray crystallography. The symmetry operation (-x, y, -z + 0.5) generates the whole molecule. The molecule is not planar with C7-C6-N3-C5, C5-N3-C6-C6#1, C6-N3-C5-C4 and N3-C5-C4-N1 torsion angles of -32.93(19)°, 149.06(14)°, -172.91(11)°, and 5.64(15)°, respectively.

抄録全体を表示

The crystal structure of (R)-3-phenoxy-2-propanol-1-benzylammonium (R)-2-phenoxypropionate [(R)-BAPP·(R)-PPA] has been determined. In the crystal packing, the hydrophobic and hydrophilic layers are separated along the b-axis. The amphipathic-protonated BAPP molecule with two phenyl rings bridges two neighboring-hydrophobic layers. The N1-O4 chain of BAPP and the carboxy group of PPA are strongly recognized by each other, and they make the 9-membered ring connected by intermolecular-hydrogen bonds.

抄録全体を表示

C₂₄H₃₂O₄ is orthorhombic, P2₁2₁2₁. The unit-cell dimensions are a = 9.9463(5), b = 11.1616(6), c = 18.8287(9)Å, V = 2090.30(18)ų, D_x = 1.222 g/cm³, and Z = 4. The A, B, C and D rings adopt between envelope and half-chair, deformed chair, deformed chair and half-chair conformations. The molecules in the crystal are packed at normal van der Waals distances.

抄録全体を表示

The reaction of (1R,2R)-1,2-diaminocyclohexane with 2-naphthol and benzaldehyde gave the title compound, 1-{[2-(1,3-diphenyl-1H-naphtho[1,2-e][1,3]oxazin-2-yl)cyclohexylamino]phenylme thyl}naphthalen-2-ol (2), under solvent-free condition. The results of an X-ray single crystal analysis indicate that there are five chiral centers and two different types of intramolecular hydrogen bonds in the title compound. One is a O-H…N hydrogen bond, and the other is a N-H…N hydrogen bond.

抄録全体を表示

The crystal structure of N,N′-diphenyl-2,6-bis(tosylaminomethyl)pyridine 3a and N,N′-dibenzyl-2,6-bis(tosylamino-methyl)pyridine 3b were determined. The structures were solved by the direct method and refined to R = 0.040 and R = 0.039, respectively. Tosylamide 3a has a symmetric structure, but 3b has a complicated asymmetric conformation, unexpectedly. All oxygen atoms of the tosyl group are opposite side to the pyridine nitrogen.

抄録全体を表示

The crystal structures of two aromatic chain imides, N-(naphthyl)-N-benzyl-9-phenanthylcarboxamide (1) and N-(9-anthrylcarbonyl)-N-{12-[9-anthryl-N-(phenylcarbonyl)carbonylamino]dodecyl}benzamide (2), were examined. In both imides, two aromatic moieties face each other, creating concave-shaped conformations.

抄録全体を表示

The compound 3,5-diethylcarboxylate-2,6-dimethyl-4-(3-bromophenyl)-1,4-dihydropyridine crystallizes in the orthorhombic space group Pbca with cell parameters a = 13.9570(14)Å, b = 16.3850(9)Å, c = 16.6910(16)Å and Z = 8. The 1,4-dihydropyridine (1,4-DHP) ring has a flat boat conformation. The molecules are linked into chains by N-H…O bonds.

抄録全体を表示

2-[1-4(Methoxy-phenylimino)ethyl]phenol (1) crystallizes in the monoclinic space group P2₁/c with a = 26.119(7), b = 5.5920(15), c = 8.774(2)Å, β = 99.304(5)°, V = 1264.6(6)ų, and Z = 4. A strong intramolecular hydrogen bond, O(1)-H(1)…N(1), is responsible for the formation of a planar six-membered C₃HNO ring.

抄録全体を表示

The structure of Co(III) complex containing a tetradentate Me₂bpb^2- ligand and two pyridne ligands was determined by the X-ray diffraction method. Four N atoms of the 1,2-bis(pyridine-2-carboxamido)-4,5-dimethylbenzene (Me₂bpb^2-) ligand and two pyridine ligands are coordinated to the Co(III) atom with an N(py)-Co-N(py) angle of 175.97(19)°. The coordination geometry of the Co atom is octahedral(O_h) with six nitrogen atoms: four from a Me₂bpb^2- ligand and two from pyridine ligands.

抄録全体を表示

The crystal structure of (R)-2-phenoxypropionic acid-(S)-valine has been determined. In the crystal packing, the hydrophobic and hydrophilic layers are well separated along the b-axis. The adjusted shallow pocket on the hydrophobic layers accommodates the bulky i-propyl group of (S)-valine. The amino and carboxy groups of (S)-valine are intermolecular hydrogen bonded to the carboxy groups of phenoxypropionic acid.

抄録全体を表示

The crystal structure of (2-pyridyl-2-azopyridine)(2,2′:6′,2″-terpyridine)chlororuthenium(II) hexafluorophosphate ([Ru(tpy)(apy)Cl]PF₆; tpy = 2,2′:6′,2″-terpyridine, apy = 2-pyridyl-2-azopyridine) has been determined by X-ray diffraction. The complex crystallizes in a triclinic system, space group P1, with the following unit-cell parameters: a = 11.2522(5), b = 11.8298(5), c = 12.6072(5)Å, α = 67.22(1), β = 64.02(1), γ = 66.05(1)°, Z = 2, V = 1333.2(2)ų, R = 0.039 [5550 refs. I > 2σ(I)]. The apy ligand is bound to the ruthenium ion with the pyridine nitrogen and the azo nitrogen.

抄録全体を表示

The title compound, 6-methoxy-4-quinolone (3), was synthesized by the oxidation of 5-methoxyindole-3-acetic acid (2), and its crystal structure was determined by X-ray diffraction analysis. The compound crystallized in the monoclinic system, space group P2₁/n, with cell parameters of a = 4.547(2)Å, b = 16.328(8)Å, c = 13.731(4)Å, β = 92.38(2)°, and Z = 4. The final residual factor was 0.064.

抄録全体を表示

Crystals of dimethyl [4-tert-butyl-2,6-bis(1-naphthyliminomethylene)phenolato]gallium (1) are monoclinic, space group P2₁/c with a = 14.797(3)Å, b = 10.651(2)Å, c = 20.260(4)Å, β = 93.55(1)°, V = 3187.1(11)ų, Z = 4. The structure was solved by direct methods and refined to a final R value of 0.0412 of 4150 reflections (I > 2σ(I)). The gallium atom was bonded by one oxygen atom and coordinated by one imine nitrogen atom, forming one six-member ring.

抄録全体を表示

The crystal structure of (creatH)⁺ (phendcH)^-·H₂O (creat = creatinine, phendcH₂ = 1,10-phenanthroline-2,9-dicarboxylic acid) was determined by the X-ray diffraction method. This compound crystallized in the triclinic system, space group P1, with two formula units in the unit cell. The unit cell parameters were: a = 7.7265(7)Å, b = 10.7685(10)Å, c = 11.5397(11)Å, with α = 75.870(2)°, β = 71.165(2)° and γ = 77.107(2)°. The final R value was 0.0521 for 3998 measured reflections. Proton transfer resulted in the formation of a self-associated system consisting of cationic and anionic units connected through H-bonding and ion-pairing simultaneously.

抄録全体を表示

The X-ray crystal structure of 25,27-dioctyloxy-5,17-diphenylcalix[4]arene-crown-6-cesium picrate complex was established. X-ray data confirmed the 1,3-alternate conformation of the complex in the solid state. Solid-state data were used to determine the complexation behavior of this new ligand. It crystallizes in the monoclinic space group P2₁/c with two independent molecules in the crystal unit.

抄録全体を表示

A 3d-4f complex, [Tb(L)₃][Fe(CN)₆]·3H₂O (L=2-[(diisopropylcarbamoyl)-methoxy]-N,N-diisopropylacetamide), was prepared and characterized by single-crystal structure analysis. A single-crystal X-ray diffraction analysis revealed that the complex contained [Fe(CN)₆]^3- and [Tb(L)₃]³⁺ ionic pairs.

抄録全体を表示

The crystal structure of 5,5-dimethyl-2-(p-methylanilino)-2-oxo-1,3,2-diazaphosphorinane has been determined. The P-N bond lengths are significantly shorter than the P-N single bond. The P=O bond is placed in an equatorial position and is slightly longer than the PO double bond length. The molecule is obtained in the form of a two dimensional polymer via intermolecular -N-H…O=P- and -N-H…N- hydrogen bonds. A weak C-H…O hydrogen bond is also observed in the structure.

抄録全体を表示

The crystal of the title racemic compound, C₁₁H₁₂ClNSO₃S, belongs to space group P1 with cell dimensions of a = 10.9608(6), b = 11.407(1), c = 11.9286(9)Å, α = 67.202(2), β = 71.850(2), and γ = 65.803(3)°. The final R value is 0.040. There are two crystallographically independent molecules in the crystal, which adopt significantly different conformations. The thiazinan rings take distorted half-chair conformations.

抄録全体を表示

5-Hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)-hept-4,6-dien-3-one(C₂₁H₂₂O₆) crystallizes into triclinic, P1. The unit-cell dimensions at 293 K are a = 7.4733(6), b = 11.4315(9), c = 12.7458(10)Å, α = 113.272(2), β = 103.374(2), γ = 97.340(2)°C, V = 943.46(13)ų, D_x = 1.304 g/cm³, and Z = 2. The R value is R = 0.050 for 3333 reflections. The molecule is essentially non-planar. The packing of the molecules in he lattice is directed by O-H…O intermolecular hydrogen bonds, C-H…O contacts and van der Waals forces.

抄録全体を表示

The molecular complex salt 2-chloroanilium picrate (2CAP) crystallizes in monoclinic space group P2₁/c with a = 11.672(1), b = 16.384(1), c = 7.556(1)Å and β = 93.97(1)°. The final R value is 0.055. The proton from the phenolic OH group of the picric acid has been transferred to the amino group of the 2-chloroaniline. The cation and anion lie almost parallel to the crystallographic ab plane and are inclined to one another with an angle of 23.6°. The cations lie as columns in the [0 0 1] direction with a possible π-π interaction and interlinked by Cl…Cl short contacts.

抄録全体を表示

The title ligand, C₃₀H₄₆N₉O₂P₃, is a cyclophosphazenic lariat (PNP pivot) ether with a spiro-cyclic 11-membered macrocyclic ring, containing two N and two ether O atoms, and four pyrrolidino rings; the phosphazene ring is not planar. It belongs to the space group P2₁/n with cell parameters a = 9.2134(8), b = 9.826(3), c = 36.150(4)Å and β = 90.097(9)°. The macrocyclic ring contains a three-centered (bifurcate) N-H…O hydrogen bond, and the relative inner-hole size (radius) of the macroring is ∼1.16 Å.

抄録全体を表示

The ligand (N₂C₁₂H₁₂) bridges Zn(II) atoms to form an one-dimensional chain compound, and two chloro ligands are also coordinated to Zn(II) atoms. The coordination geometry of the Zn atom is tetrahedral with the N-Zn-N and Cl-Zn-Cl angles of 110.63(8)° and 123.60(3)°, respectively.

抄録全体を表示

N-Methyl-3-t-isopropyl-r-2,c-6-diphenylpiperidin-4-one (NMIDPPO), crystallizes in monoclinic space group P2₁/c with a = 16.666(6), b = 12.349(5), c = 18.778(7)Å; β = 111.74(1)°, V = 3590(2)ų, Z = 8, D_cal = 1.138 Mg/m³. The structure was solved by direct methods and refined by full-matrix least-squares procedures to a final R-value of 0.0556 for 5078 observed reflections. There are two crystallographically independent molecules in the asymmetric unit. The piperidine rings in both molecules adopt the chair conformation with the planar phenyl rings substituted equatorially at the 2,6 positions. The C-H…O type of intermolecular hydrogen bonds and C-H…π weak interactions stabilize the molecules in the unit cell in addition to the van der Waals forces.

抄録全体を表示

1-Phenylsulfonyl-2-methyl-3-cyanoindole crystallizes in triclinic space group P1 with cell parameters a = 9.878(4), b = 11.789(4), c = 13.148(4)Å, α = 102.23(2)°, β = 100.51(3)°, γ = 109.47(3)°, V = 1356.5(7)ų, Z = 4 and D_cal = 1.451 Mg/m³. A final R-value of 0.0891 was obtained for 3659 observed reflections. The indole moieties and the benzene rings are planar. The cyano groups in both molecules are linear. The C-H…N inter and C-H…O types of intra and intermolecular hydrogen bondings stabilize the molecules in the unit cell. C-H…π and π…π weak interactions are also useful in crystal packing in addition to van der Waals forces.

抄録全体を表示

The crystal structure of (GH)⁺(hypydcH)^-·H₂O, (G = guanidine, hypydcH₂ = 4-hydroxy-2,6-pyridinedicarboxylic acid) has been determined by the X-ray diffraction method. This compound crystallizes in the triclinic system, space group P1, with two formula units in the unit cell. The unit-cell parameters are: a = 6.6451(8)Å, b = 7.9643(9)Å, c = 11.1963(13)Å, with α = 87.920(3)°, β = 75.574(3)° and γ = 72.796(2)°. The final R value is 0.0764 for 1121 measured reflections. Proton transfer results in the formation of a self-associated system consisting of cationic and anionic units connected through H-bonding and ion-pairing simultaneously.

抄録全体を表示

The proton-transfer compound (pyrimH)⁺{H(Hpydc)₂}^- was synthesized from the reaction of 2,6-pyridinedicarboxylic acid, pydcH₂, and N,N′-diethyl-2-amino-6-methyl-4-pyrimidinol, pyrim. The crystal structure was determined by X-ray diffraction. This compound crystallizes in the triclinic space group P1, with two formula units in the unit cell. The unit-cell parameters are: a = 8.139(4)Å, b = 8.601(4)Å, c = 19.080(11)Å, with α = 84.54(4)°, β = 79.88(4)° and γ = 62.23(3)°. The final R value is 0.0369 for 3899 measured reflections.

抄録全体を表示

A rhodium(I) complex with a chelating bidentate isonitrile ligand, 1,2-bis(4-tert-butyl-2-isocyanophenylmethylamine)ethane (Rh[t-BuDinMeNC]₂BF₄), was synthesized and characterized by X-ray crystallography. The complex crystallizes in a triclinic crystal system under the space group P1 and Z = 2 with a = 10.3165(6)Å, b = 15.5162(9)Å, c = 19.0534(11)Å, α = 68.166(1)°, β = 78.973(1)°, γ = 89.329(1)°, V = 2773.0(3)ų. The complex is square-planar, and the BF₄^- anion exists as a counter ion. This is the first structural example of a bidentate isonitrile-containing complex having a square-planar structure.

抄録全体を表示

The title compound, C₆H₁₂N₅O₂P₃Cl₂, a cyclotriphosphazene, has a spiro-ansa-spiro architecture in which the bicyclic system is in the sofa conformation. The asymmetric unit contains one half a molecule. Two P and two N atoms are capable of representing stereogenic centres (meso form). It belongs to the space group Pnma with cell parameters a = 11.6949(2), b = 13.6816(3), c = 8.576(2)Å.

抄録全体を表示

The crystal structure of [Sb(pydc)(H₂O)]₂O was determined by X-ray diffraction. This compound crystallizes in the monoclinic system, space group P2₁/n, with the following unit-cell parameters: a = 5.234(1)Å, b = 11.164(2)Å, c = 14.331(3)Å, β = 97.49(3)°. The final R value is 0.0384 with 1226 reflections. This compound is a five-coordinated binuclear complex in which each of the two metal fragments are arranged via weak intermolecular Sb…O interactions. The binuclear units join together by axial Sb-O, and thus make a distorted square pyramid binuclear complex. The existence of a hemi-directed configuration in the complex is due to the activity of the lone electron pair on antimony.

抄録全体を表示

The crystal structure of the title compound, having a 6 - 7 membered ring, was determined by the X-ray diffraction method. The compound crystallized in the monoclinic space group C2/c with cell parameters a = 4.2679(14)Å, b = 21.128(6)Å, c = 11.372(4)Å, β = 95.354(10)°, and Z = 4; the final residual factor was 0.0445 for 1012 reflections.

抄録全体を表示

The title compound is the first rare-earth cyclo-triphosphate involving a chlorine ion to be reported. It crystallizes in the hexagonal space group P6₃/m with a = 9.9366(3)Å, c = 12.1601(5)Å, Z = 2, V = 1039.78(6)ų and D_x = 2.833 g cm^-3. The crystal structure was solved by the direct method and refined using successive Fourier analysis to R = 0.0349 for 1042 reflections. It consists of P₃O₉ rings lying in (0 0 1) planes, interconnected by Er and K polyhedra along the c axis. The water molecule takes part into Er and K(1) coordination polyhedra.

抄録全体を表示

The crystal of the title compound, 2,2′-bipyridinium trihydrogen-1,2,4,5-benzenetetracarboxylate trihydrate, C₁₀H₉N₂⁺·C₁₀H₅O₈^-·3H₂O, is built of a 2,2′-bipyridinium cation, a trihydrogen-1,2,4,5-benzenetetracarboxylate anion and three water molecules. It crystallizes in triclinic, space group P1 with a = 9.6528(15), b = 9.6823(15), c = 12.0799(19)Å, α = 89.625(2), β = 72.672(2), γ = 72.316(2)°, V = 1022.5(3)ų, Z = 2. Both O-H…O and N-H…O hydrogen bonds were observed in the crystal lattice, which contributes to the stability of the structure.

抄録全体を表示

The structure of novel complex formed by zinc(II) and imino nitroxides of formula [Zn(IM2-Py)₂(NO₃)]·(NO₃) (IM2-Py = 2-(2′-pyridyl)-4,4,5,5-tetramethylimidazoline-1-oxyl) was determined by the X-ray diffraction method. The compound crystallizes in orthorhombic, space group P2₁2₁2₁ with a = 11.026(2), b = 13.575(3), c = 20.435(4)Å, V = 3058.6(11)ų, Z = 4. The final R value is 0.0565 for 2637 reflections (I > 2σ(I)). X-ray analysis reveals that the crystal structure consists of [Zn(IM2-Py)₂(NO₃)]⁺ moiety and a NO₃^- anion. The zinc(II) ion is six-coordinated with a distorted octahedral geometry. The units of [Zn(IM2-Py)₂(NO₃)]⁺ and NO₃^- anions were connected as a one-dimensional chain compound by the intermolecular interaction.

抄録全体を表示

Crystals of ethylenediamine bis(sulfamate) (1) are monoclinic, space group P2₁/n with a = 4.7844(12)Å, b = 5.4373(13)Å, c = 18.080(4)Å, β = 91.183(4)°, V = 470.2(2)ų, Z = 2. The structure was solved by direct methods and refined to a final R value of 0.0428 of 864 reflections (I > 2σ(I)). The oxygen atom of sulfamate was connected to ethylenediamine by hydrogen bonds.

抄録全体を表示

The crystal structure of a novel benzo-substituted macrocyclic diamide is presented.

抄録全体を表示

1,4-Dihydropyridines (DHP) are known for their action as calcium channel blockers and are used for treatment of various cardiovascular diseases. The title compound was synthesized following the classical Hantzsch synthesis. The compound crystallizes in monoclinic crystal class in the space group P2₁/n with cell parameters a = 9.744(3)Å, b = 7.460(2)Å c = 26.662(5)Å, β = 98.34(2)°, Z = 4. The structure adopts a flat boat conformation.

抄録全体を表示

The dinuclear (R,R)-tartrate nickel(II) complex, [Ni₂((R,R)-C₄H₄O₆)₂(H₂O)₄]₂·10H₂O, has been synthesized and its crystal structure has been determined by single-crystal X-ray diffraction. The structure consists of two independent nickel (R,R)-tartrate units and ten water molecules. Each unit contains two (R,R)-tartrato dianions chelated to two nickel ions (5.049(2) and 4.994(2)Å for Ni(1)-Ni(2) and Ni(3)-Ni(4)), with the use of two hydroxyl oxygen atoms and two carboxyl oxygen atoms as donor atoms. The coordination geometry for each nickel ion can be described as octahedral.

抄録全体を表示

The crystal structure of 1-benzyl-4-(5,6-dimethoxy-1H-2-indenylmethyl)piperidine, C₂₄H₂₉O₂N, has been determined. The compound crystallizes from methanol solvent in the monoclinic system, space group P2₁ with the following unit-cell parameters: a=10.245(8), b=5.523(4), c=18.670(2)Å, β=102.472(7)°, Z=2, V=1031.5(16)ų. The crystal structure was solved by direct methods and refined by full-matrix least squares to a final R-value of 0.050 with 3751 unique reflections.

抄録全体を表示

The title compound, C₁₄H₂₂N₂O₂·H₂O, derived from a plant Sphaeranthus indicus, has crystallized in non-centro symmetric space group P2₁2₁2₁ with one molecule in the asymmetric unit. The crystal structure is stabilized by C-H…N and O-H…O intramolecular hydrogen bonds and the molecular packing is stabilized by intermolecular O-H…O hydrogen bonds.

抄録全体を表示