addenda and errata
organic compounds
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In the title compound, C11H16N2O3S, the S atom has a distorted tetrahedral geometry [maximum deviation: O—S—O = 119.48 (15)°]. The dihedral angles between the benzene ring and its propylsulfonamide and methylamide substituents are 71.8 (2) and 5.8 (1)°, respectively. In the crystal, molecules are linked by Nm—HOs (m = methylamide and s = sulfonamide) hydrogen bonds, forming C(8) chains along the a axis. The two molecule chains are connected by N—HO hydrogen bonds, generating R32(18) rings. The crystal packing is further stabilized by weak intermolecular C—HO hydrogen bonds.
organic compounds
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In the title compound, C9H11NOS, the phenyl ring and formamide unit make a dihedral angle of 23.93 (14)°, whereas the (methylsulfanyl)methyl group is oriented at a dihedral angle of 61.31 (8)° with respect to the phenyl ring. There are intermolecular N—HO hydrogen bonds, forming C(4) chains along the [010] direction. These polymeric chains are linked by C—HO hydrogen bonds to form polymeric sheets in the (110) plane.
organic compounds
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The asymmetric unit of the the title compound, C7H7ClN2O, contains two molecules in which the chlorophenyl and the formic hydrazide units are almost planar (r.m.s. deviations of 0.0081 and 0.0100 Å, respectively, in one molecule and 0.0069 and 0.0150 Å in the other) and are oriented with respect to each other at dihedral angles of 56.8 (2) and 56.9 (2)°. In the crystal, the molecules are consolidated in the form of polymeric chains extending along [010]. R33(10) ring motifs exist due to N—HO and N—HN hydrogen bonds.
metal-organic compounds
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In the title complex, [Cd(CH3COO)2(C4H8N2S)2], the CdII cation is coordinated by three acetate O atoms and two S atoms of Diaz [Diaz = 1,3-diazinane-2-thione = 3,4,5,6-tetrahydropyrimidine-2(1H)-thione]. The CdII coordination is augmented by one considerably longer Cd—O bond of 2.782 (3) Å to a carboxylate O atom. The resulting coordination polyhedron around the CdII cations can be described as a highly distorted octahedron. The Diaz ligand and the acetate anions are linked by N—HO hydrogen-bonding interactions.
metal-organic compounds
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The title compound, [Cu6I6(C2H6N2S)6], was obtained from the reaction of copper(I) iodide with N-methylthiourea (Metu) in equimolar amounts in acetonitile. The complex consists of two six-membered trinuclear Cu3S3I3 cores that combine through triply bridging Metu, forming a hexanuclear core which has -3 symmetry. The CuII atom is coordinated by three S atoms of Metu and one iodide ion in a distorted tetrahedral geometry. The crystal structure is stabilized by N—HI hydrogen bonds and cuprophilic interactions [CuCu = 3.0264 (9) Å].
organic compounds
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In the title compound, C16H13ClFN3O2S, the dihedral angle between the benzene rings is 4.47 (3)°. The conformation of the thiazine ring is a half-chair and the Cl atom is in an axial orientation. In the crystal, molecules are linked by C—HF interactions, generating C(12) chains propagating in [011]. Aromatic π–π stacking interactions [centroid–centroid separations = 3.753 (2) and 3.758 (2) Å] also occur.
organic compounds
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The asymmetric unit of the title compound, C16H17NO2, contains two molecules in which the dihedral angles between the 3-ethoxy-2-hydroxybenzaldehyde and toluidine moieties are 16.87 (8) and 19.93 (6)°. S(6) rings are present in both molecules due to intramolecular O—HN hydrogen bonds. In the crystal, one of the molecules is dimerized with an inversion-generated partner, due to two C—HO interactions. This generates an R22(8) loop.
organic compounds
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In the title compound, C11H7F2N, the fluorobenzene and the 2-fluoropyridine rings are oriented at a dihedral angle of 37.93 (5)°. In the crystal, only van der Waals interactions occur.
organic compounds
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In the title compound, C17H17N3O2S, the phenyl ring is oriented at dihedral angles of 8.5 (2) and 1.17 (14)°, respectively, to the C=N—N plane and the fused aromatic ring. The thiazine ring adopts an envelope conformation with the S atom at the flap. In the crystal, a weak C—HO interaction connects the molecules, forming a helical chain along the a axis.
organic compounds
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In the title compound, C8H9BrN2O, the 1-bromo-4-methylbenzene group and the formic hydrazide moiety [r.m.s. deviations of 0.0129 and 0.0038 Å] are oriented at a dihedral angle of 80.66 (11)°. In the crystal, molecules are linked via strong N—HO hydrogen bonds, leading to the formation of chains in the [010] direction. These chains are linked via weaker N—HN and N—HO hydrogen bonds, with R22(7) and R32(7) ring motifs, forming a two-dimensional network parallel to (001).
organic compounds
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The title compound, C13H10N2O4, crystallized as the zwitterionic tautomer. As a result, the phenolate C—O− bond [1.296 (2) Å] is shorter than a normal Csp2—O(H) bond, and the azomethine C=N bond [1.314 (2) Å] is longer than a normal C=N double bond. The molecule is nearly planar, the mean plane of the nitro-substituted benzene ring forming dihedral angles of 9.83 (7) and 8.45 (9)° with the other benzene ring and with the nitro group, respectively. The molecular conformation is stabilized by an intramolecular N—HO hydrogen bond. In the crystal, strong O—HO hydrogen bonds link the molecules into double-stranded chains along the b-axis direction. Within the chains there are π–π interactions involving the benzene rings of adjacent molecules [centroid–centroid distance = 3.669 (1) Å]. The chains are linked via C—HO hydrogen bonds, forming R21(6), R21(7) and R22(10) ring motifs.
organic compounds
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In the molecule of the title compound, C14H10ClNO2S, the dihedral angle between the almost planar benzothiazole ring system [maximum deviation = 0.005 (2) Å] and the benzene ring is 1.23 (9)°. The conformation of the molecule is stabilized by an intramolecular O—HN hydrogen bond, forming an S(6) ring motif. In the crystal, molecules are linked into layers parallel to the ac plane by C—HO hydrogen bonds and π–π stacking interactions [centroid–centroid distance = 3.7365 (12) Å].
organic compounds
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In the title compound, C16H14ClNO3S, the dihedral angle between the almost-planar benzothiazole ring system [maximum deviation = 0.012 (3) Å] and the aromatic ring of the trimethoxyphenyl group is 15.56 (6)°. In the crystal, the molecules are arranged into layers parallel to the bc plane, held together only by weak van der Waals forces.