metal-organic compounds
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In the centrosymmetric title coordination compound, [Er2{Fe(C5H5)(C6H4O2)}6(CH3OH)2(H2O)2]·2CH3OH, the two ErIII ions are bridged by two ferrocenecarboxylate anions as asymmetrically bridging ligands, leading to dimeric cores. The ErIII ion has a distorted dodecahedral coordination with six coordinating O atoms derived from the ferrocenecarboxylate ligands and two coordinated O atoms from one water molecule and one methanol molecule. The asymmetric unit comprises a half of the complex molecule and a methanol solvent molecule. Intramolecular O—HO and C—HO interactions occur. In the crystal, molecules are linked by intermolecular O—HO hydrogen bonds and C—HO as well as C—Hπ interactions.
organic compounds
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The molecule of the title compound, C7H6ClNO2, is almost planar, with a dihedral angle of 3.34 (14)° between the COOMe group and the aromatic ring. In the crystal, the molecules are arranged into (12) layers by C—HN hydrogen bonds and there are π–π stacking interactions between the aromatic rings in adjacent layers [centroid–centroid distance 3.8721 (4) Å]
metal-organic compounds
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In the title coordination polymer, [Sn(CH3)3(C6H4N3)]n, the SnIV atom is five-coordinated in a distorted trigonal–bipyramidal geometry with the methyl groups in equatorial positions and two N atoms of two symmetry-related benzotriazolide anions in axial positions. The anion bridges adjacent metal atoms, forming zigzag polymeric chains parallel to [011] and [01].
organic compounds
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The crystal structure of the title compound, C15H17N3O4, is stabilized by intermolecular N—HN hydrogen bonds. An intramolecular N—HO hydrogen bond also occurs.
metal-organic compounds
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In the title compound, [Co(C18H18N2O4)Cl(H2O)]·C3H7NO, the CoIII ion is six-coordinated by a tetradentate 6,6′-dimethoxy-2,2′-[ethane-1,2-diylbis(nitrilomethanylylidene)]diphenolate ligand, with a chloride ion and an aqua ligand in the apical positions. The compound crystallized as a dimethylformamide (DMF) monosolvate. In the crystal, complex molecules are linked via O—HwaterO hydrogen bonds to form a dimer-like arrangement. These dimers are linked via a C—HCl interaction, and the DMF molecule is linked to the complex molecule by C—HO interactions.
organic compounds
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The three molecules in the asymmetric unit of the title compound, C3H4N2O2S, are connected via N—HO hydrogen bonds, forming layers normal to [001]. The rings of the molecules are approximately planar, with r.m.s. deviations of 0.0051 (1), 0.0044 (1) and 0.0111 (1) Å.
metal-organic compounds
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The title compound, [Co(C7H5O2)2(C12H16N3O2)2(H2O)2], was obtained from a conventional solvent evaporation method. The complex molecule is centrosymmetric, so pairs of equivalent ligands lie trans to each other in a slightly distorted octahedral CoN2O4 geometry. The CoII ion is coordinated by the pyridine N atoms from NITpPy ligands [NITpPy is 4,4,5,5-tetramethyl-2-(pyridin-4-yl)imidazoline-1-oxyl 3-oxide), water O atoms and two monodentate benzoate O atoms. The complex molecules are connected by O—HO hydrogen bonds between water molecules and benzoate ligands, forming chains parallel to [100]. π–π stacking interactions between the benzoate ligands with centroid–centroid distances of 3.752 (2) Å connect the chains into layers parallel to (10-1).
metal-organic compounds
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In the structure of the title complex, [ZnCl2(C6H8N4)2], the ZnII atom has a distorted octahedral geometry. Two cis Cl− ions and four N atoms belonging to two different 2-(1-hydrazinylideneethyl)pyrazine ligands coordinate the ZnII atom, forming two five-membered Zn—N—C—C—N rings. The dihedral angle between the planes of these metallocycles is 88.13 (4)°. The organic ligands are essentially planar (r.m.s. deviations from planarity = 0.072 and 0.040 Å). Intermolecular N—HN and N—HCl interactions join the molecules into a three-dimensional framework.
organic compounds
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In the title epoxy monomer, C24H22O5, the dihedral angle in the biphenyl residue is 3.34 (19)°, indicating a nearly coplanar conformation; this residue is not planar with the adjacent benzene ring [dihedral angle = 58.93 (14)°]. Each of the epoxide rings is disordered. Each epoxide ring was resolved over two alternative positions with site-occupancy ratios of 0.638 (10):0.362 (10) and 0.797 (9):0.203 (9).
organic compounds
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In the title compound, C19H14F3N3, the dihedral angles between the mean planes of the indole ring and the 4-CF3-phenyl and imidazole rings are 54.95 (4) and 61.36 (7)°, respectively.
organic compounds
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In the title compound, C16H9Cl2N5O2, the folded molecular conformation is characterized by a dihedral angle between the two benzene rings of 74.03 (5)°. An intramolecular N—HO hydrogen bond is observed between the H atom of the amide group and a nitro-group O atom. Intermolecular C—HO and N—HN hydrogen bonds feature in the crystal packing.
organic compounds
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In the title compound, C10H6ClF3N4O3, the dihedral angle between the benzene ring and the triazolone ring is 59.9 (1)°, while the nitro substituent subtends an angle of 39.5 (1)° to the benzene ring plane. In the crystal, pairs of molecules form inversion dimers via C—HO hydrogen bonds.
organic compounds
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The title compound, C17H22N4O3, comprises a 1,4-diazepine ring in a twist-boat conformation fused to a pyrimidine ring. The dihedral angle between the pyrimidine and phenyl rings is 80.8 (1)°. The crystal packing features N—HO and C—HO hydrogen bonds.
organic compounds
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In the title compound, C20H11Cl2F4N3, the central pyrazolo[1,5-a]pyrimidine unit is almost planar [the mean deviation from the best least-square plane through the nine atoms is 0.006 (2) Å]. The fluorobenzene ring is rotated out of this plane by 10.3 (3)°, whereas the dichlorobenzene ring is rotated by 46.2 (3)°. The crystal packing is dominated by ClCl interactions of 3.475 (3) Å and van der Waals interactions.
organic compounds
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In the title compound, C25H13Cl2F4N3, there are four planar systems, viz. three benzene rings and a pyrazolo[1,5-a]pyrimidine system [r.m.s. deviation = 0.002 Å]. The dihedral angle between the dichlorophenyl ring and the unsubstituted phenyl ring is 69.95 (5)°, while that between the fluorophenyl ring and the unsubstituted phenyl ring is 7.97 (10)°. The crystal packing is dominated by van der Waals interactions. A ClCl interaction of 3.475 (3) Å also occurs.
organic compounds
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The title compound [systematic name: 9-(9H-fluoren-3-yl)-9H-fluorene], C26H18, was obtained unintentionally as the product of the synthesis of a compound based on fluorene-thiophene units. The two fluorene rings are connected through C atoms in the 3- and 9'-positions, and the dihedral angle between the mean planes of the two fluorene units is 78.57 (6)°.