Sulfur S₈ was isolated from a reaction solution of thiourea and bismuth nitrate in N,N-dimethylformamide. The crystal structure was determined by the single-crystal X-ray diffraction method at 90 K. It crystallizes in the orthorhombic space group Fddd with a = 10.3310(8)Å, b = 12.6786(10)Å, c = 24.3519(19)Å, V = 3189.7(4)ų, D_x = 2.136 g/cm³, and Z = 6. The R1 [I > 2σ(I)] and wR2 (all data) values are 0.0220 and 0.0570, respectively, for all 1864 independent reflections. The S₈ molecule has a crown-shaped ring structure with the α-form.

Sodium tetraperoxidochromate(V), Na₃Cr(O₂)₄·14H₂O, was prepared and the crystal structure was determined by the single-crystal X-ray diffraction method at 90 K. It crystallizes in the triclinic space group P1 with a = 7.5349(6)Å, b = 8.6378(7)Å, c = 8.9921(7)Å, α = 64.087(1), β = 81.565(1), γ = 69.348(1)°, V = 492.56(7)ų, D_x = 1.690 g/cm³, and Z = 1. The R1 [I > 2σ(I)] and wR2 (all data) values are 0.0277 and 0.0722, respectively, for all 2310 independent reflections. The chromium ion is coordinated by four peroxido ligands in a distorted dodecahedral geometry, whereas each sodium ion is coordinated by six water molecules to form an octahedral Na(H₂O)₆ unit, which is connected by two bridging water molecules to form zigzag [cis-{Na(H₂O)₂(μ-H₂O)₄}-trans-{Na(H₂O)₂(μ-H₂O)₄}]_n chain molecules in the crystal.

The di-μ-acetato-μ-alkoxido-bridged dinuclear manganese(III) complex with 1,3-bis(3-methoxysalicylideneamino)-2-propanol (H₃msap), [Mn₂(msap)(μ-CH₃COO)₂(CH₃COO)(CH₃OH)], was synthesized. The crystal structure was determined by the single-crystal X-ray diffraction method at 90 K. The complex crystallizes in the monoclinic space group P2₁/n with a = 10.4020(8), b = 22.6864(17), c = 12.1807(10)Å, β = 92.0340(10)°, V = 2872.6(4)ų, D_calcd = 1.559 g/cm³, Z = 4. The R1 [I > 2σ(I)] and wR2 (all data) values are 0.0495 and 0.1218, respectively, for all 6587 independent reflections. The two manganese(III) ions are bridged by alkoxido-oxygen of msap²⁻ and two μ-acetato with a hydrogen bonding between monodentate acetato and methanol molecules.

Phthalonitrile-3-yl (PN3) substituted indole derivative 1 was structurally characterized. The compound was crystallized in a monoclinic system and characterized as follows: P2₁/c, a = 23.232(5), b = 7.4413(14), c = 15.361(4)Å, β = 106.818(5)°, Z = 8, V = 2542.0(10)ų. The crystal structure was solved by direct methods and refined by full-matrix least-squares on F² to the final values of R1 = 0.0660 and wR2 = 0.1610. 1 has two crystallographically independent molecules in the asymmetric unit. The dihedral angle between indole and PN3 is 42.17(8)°. Theoretical studies revealed that the rotational barrier of PN3 is 8.82 kcal mol⁻¹. ¹H NMR spectroscopy demonstrated an interesting long-range spin–spin coupling between benzylic H of the methyl group and the adjacent aromatic H through four bonds with a coupling constant of 1.3 Hz (in acetone-d₆). The double-bond character of the bond connecting these protons is responsible for this phenomenon.

The structure of 3-[(2E)-3-phenylprop-2-en-1-ylidene]pentane-2,4-dione was determine by X-ray crystallography. The crystallographic data analysis reveals that the title compound crystallizes in monoclinic system and space group P2₁/a with the cell parameters a = 12.7006(4)Å, b = 10.0271(5)Å, c = 20.1044(10) and β = 106.525(3)°. The crystal structure was solved by direct methods and refined by full-matrix least-squares on F² to final values of R1 = 0.083 and wR2 = 0.257. Some spectroscopic data were also reported.

The crystal structure of manganese(II) hexafluorosilicate hexahydrate, [Mn(H₂O)₆]SiF₆, was determined by the single-crystal X-ray diffraction method at 90 K. The complex crystallizes in the monoclinic space group P2₁/c with a = 6.473(3), b = 9.639(5), c = 8.579(4)Å, β = 100.009(7)°, V = 527.2(4)ų, D_calcd = 1.922 g/cm³, Z = 2. The R1 [I > 2σ(I)] and wR2 (all data) values are 0.0330 and 0.0734, respectively, for all 1278 independent reflections. The manganese(II) ion is located at the crystallographic inversion center with six water molecules, each of which is disordered into two positions, forming a distorted octahedral geometry. The hexafluorosilicate ion is also located at the crystallographic inversion center with six disordered fluoride atoms. The temperature dependence of the magnetic susceptibility obeys the Curie–Weiss law with C = 4.476(2)cm³ mol⁻¹, θ = –0.39(6)K, showing almost no magnetic interaction between the metal centers.

A free base ligand of a BODIPY building block, 1,9-dibromo-5-phenyldipyrrin (2), was synthesized. The crystal structure was determined by the single crustal X-ray diffraction method at 293 K. The compound crystallizes in a monoclinic system and was characterized as follows: P2₁/c, a = 9.94150(10), b = 15.8691(3), c = 10.2160(2)Å, β = 118.8050(6), Z = 4, V = 1412.28(4)ų, D_calcd = 1.778 g/cm³, Z = 4. The R1 [I > 2σ(I)] and wR2 (all data) values are 0.0266 and 0.0653, respectively, for all 2896 independent reflections.

The structure of the dinuclear Co(II, III) mixed-valence complex [Co^IICo^III(bpmp)(C₆F₅CO₂)₂](ClO₄)₂·C₂H₅OC₂H₅ (1) was determined by X-ray crystallography, where bpmp is 2,6-bis[bis(2-pyridylmethyl)aminomethyl]-4-methylphenolate. The compound crystallizes in the triclinic space group, P1, with a = 11.1387(5), b = 11.5941(5), c = 21.7622(9)Å, α = 88.1955(13), β = 76.0524(14), γ = 79.2320(11)°, Z = 2, V = 2679.3(2)ų. The R1 [I > 2σ(I)] and wR2 (all data) values are 0.0370 and 0.1028, respectively, for all 9437 independent reflections. The complex has a (μ-phenoxo)bis(μ-pentafluorobenzoate)dicobalt(II, III) core structure.

The structure of a dimeric complex, namely dimethylammoniumbis{(p-tert-butylcatecholato) borate}, was determined by X-ray crystallography. The compound crystallized in a triclinic system, and was characterized to be in the space group P-1, with cell parameters a = 11.929(7)Å, b = 16.833(6)Å, c = 11.259(11)Å, α = 93.75(5)°, β = 91.00(7)°, γ = 100.37(4)°, Z = 4, and V = 2218(3)ų. The crystal packing is conducted by intermolecular/intramolecular N–H···O hydrogen bonds. The B atom adopts a distorted tetrahedral geometry with four O atoms of p-tert-butylcatechol ligands.

The crystal structure of an iron(II) complex salt, [Fe^II(phen)₃](SASO₃⁻)₂ (phen = phenanthroline; SASO₃⁻ = 3-{[(2-hydroxyphenyl)methylidene]amino}benzene-1-sulfonate)), was determined by single crystal X-ray structural analysis. It was revealed: monoclinic, C2/c, a = 26.951(3), b = 10.8492(8), c = 21.899(3)Å, β = 125.390(19)°, Z = 4, V = 5220.1(14)ų, R₁ = 0.0493[I > 2σ(I)]. Although, 3-{[(2-hydroxyphenyl)methylidene]amino}benzene-1-sulfonic acid (SASO₃H) was known as a photochromic compound, title compound did not exhibit photochromism due to the non-photochromic molecular conformation of the SASO₃⁻ anions in the crystal.

The crystal structure of the Ru(III) complex with 2-(2-imidazolinyl)phenolate was determined by X-ray crystallography. The title compound was synthesized by a reaction of RuCl₃·nH₂O and 2-(2-imidazolinyl)phenolate in ethanol. The compound crystallized in the monoclinic space group P2₁/c and Z = 4 with cell parameters a = 10.2053(18)Å, b = 33.277(6)Å, c = 8.8733(15)Å, β = 113.904(3)°, V = 2754.9(8)ų. The R₁ [I > 2σ(I)] and wR₂ (all data) values are 0.0711 and 0.1487, respectively, for all 6316 independent reflections. The title compound was found to take a meridional configuration. In the crystal, a centrosymmetric dimer structure was formed by intermolecular hydrogen-bonds between the coordinating phenolate-O atom (O2) of a ligand and a noncoordinating N–H bond (N5–H5A) in the symmetry equivalent ligand.

The molecular structure of sterically crowded 1,4,5,8-tetrabromonaphthalene 1 was refined. The compound crystallized in a monoclinic system and was characterized as follows: P2₁/c, a = 9.470(3), b = 15.530(4), c = 7.340(2)Å, β = 92.147(9)°, Z = 4, V = 1078.7(5)ų. The crystal structure was solved by direct methods and refined by full-matrix least-squares on F² to final values of R1 = 0.0332 and wR2 = 0.0572. Because of the steric repulsion between the peri-bromines, 1 takes a twisted structure having a D₂ point group, i.e., a chiral structure. Symmetry operation of this space group generates the corresponding enantiomer in the crystal. In marked contrast to the noticeably short intramolecular Br–Br contact of 3.209 Å (average), there is no short Br–Br contact intermolecularly.

The title compound of a lantern-type ruthenium(II,III) dinuclear complex, [Ru₂(O₂CCMe₃)₄(NCS)(DMF)], was isolated and the crystal structure was determined by the single-crystal X-ray diffraction method at 293 K. It crystallizes in the monoclinc space group P2₁/n with a = 11.549(6)Å, b = 9.849(5)Å, c = 14.250(8)Å, β = 91.898(7)°, V = 1619.9(15)ų, D_x = 1.513 g/cm³, and Z = 2. The R1 [I > 2σ(I)] and wR2 (all data) values are 0.0389 and 0.0916, respectively, for all 3860 independent reflections. The axial sites of the dinuclear core are occupied by NCS⁻ and DMF ligands with distances of Ru–N_ax (NCS⁻) = 2.29(3)Å and Ru–O_ax (DMF) = 2.201(19)Å, respectively. The Ru–Ru distance is 2.2713(10)Å, of which the value is in the range of those for the other lantern-type diruthenium(II,III) tetracarboxylate complexes.

The crystal structure of [3-(1,4,7,10-tetraazacyclododecan-1-yl)propan-1-amine = L]zinc(II) bis(perchlorate), [Zn^IIL](ClO₄)₂, was determined by the single-crystal X-ray diffraction method at 93.15 K. The titled complex crystallized in the orthorhombic space group P2₁2₁2₁ and Z = 4 with a = 9.09970(10), b = 14.0995(2), c = 14.9908(2)Å, and V = 1923.34(4)ų. The R₁ [I > 2σ(I)] and wR₂ (all data) values were 0.0214 and 0.0538, respectively, for all 3079 independent reflections. In the crystal structure, the zinc center is coordinated with the three secondary amines and one tertiary amine of the macrocycle and with the primary amine from the N-propylamino pendant arm, forming a distorted square pyramidal geometry.

A racemic mixture of planar chiral 4-iodo-5-methoxy[2.2]metacylophane (2) was synthesized by the low-temperature directed ortho aryl metalation of 5-methoxy[2.2]metacyclophane (1) and subsequent in situ reaction with iodine. The crystal structure was determined by the single-crystal X-ray diffraction method at 100 K. The compound crystallized in an orthorhombic system and was characterized as: Pca2₁, a = 13.5690(2), b = 14.2212(2), c = 7.5004(1)Å, Z = 4, V = 1447.33(4)ų. The crystal structure was solved by direct methods and refined by full-matrix least-squares on F² to final values of R1 = 0.0281 and wR2 = 0.0733 for all 3021 independent reflections.

The structure of 5-methoxyindirubin 3′-oxime was determined by a single-crystal X-ray diffraction method at 93.15 K. The compound was crystallized in a monoclinic system, and was characterized as thus: P2₁/c, a = 16.0352(4)Å, b = 5.55140(10)Å, c = 17.2061(4)Å, β = 100.324(3)°, Z = 4, and V = 1506.85(6)ų. The crystal structure was solved by direct methods and refined by full-matrix least-squares on an F² to final values of R₁ = 0.0524 (I > 2σ(I)) and wR₂ = 0.1411 (all data). 5-Methoxyindirubin 3′-oxime forms three hydrogen bonds intramolecularly and intermolecularly without intervening solvent molecules.

The present compound, namely (Z)-4-[4-fluorophenyl]thiosemicarbazide, crystallized in a monoclinic space group, P2₁/c, with cell parameters a = 12.1056(8)Å, b = 5.5177(4)Å, c = 12.5617(8)Å, β = 90.063(2)°, V = 839.06(10)ų, and Z = 4. The structure was solved and the data was refined to reach R and wR indices of 0.0946 and 0.1377, respectively. In the crystal, each molecule was linked to the next molecule by two N–H···S intermolecular hydrogen bonds.