organic compounds
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In the title compound, C16H14ClN3O3S, the thiazine ring adopts a sofa (half-chair) conformation, with an r.m.s. deviation from the mean plane of 0.23 Å. The S atom and S-bonded C atom exhibit the maximum deviations from the thiazine mean plane [−0.3976 (12) and 0.3179 (14) Å, respectively]. The conformations around the double bonds in the R2C=N—N=CHR unit are Z and E. An intramolecular O—HN hydrogen bond with the hydroxy group as donor generates an S(6) ring motif. In the crystal, pairs of weak C—HO interactions connect the molecules, forming inversion dimers.
organic compounds
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In the title compound, C19H18N4O3, the pyrazole ring is oriented at dihedral angles of 41.12 (7) and 12.25 (10)°, respectively, with respect to the planes of the phenyl and benzene rings. Intramolecular N—HO and O—HO hydrogen bonds generate seven- and six-membered S(7) and S(6) ring motifs, respectively.
organic compounds
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In the structure of the title compound, C13H14N2O3·H2O, all atoms of the organic molecule except the terminal methyl group of the ethyl group attached to the N atom of the pyridinone ring are roughly coplanar, with an r.m.s. deviation of 0.0897 Å. In the crystal, C—HO contacts link pairs of naphthyridine molecules into head-to-tail dimers. These are joined by strong O—HO hydrogen bonds from the water molecules into infinite chains along the a axis.
metal-organic compounds
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In the title compound, [Cu(C12H18N2O2)]·0.25H2O, the coordination of the O,N,N′,O′-tetradentate ligand results in a cis-CuN2O2 square-planar geometry for the metal ion and the presence of two six-membered and one five-membered chelate rings. The complete complex molecule is close to planar (r.m.s. deviation = 0.047 Å). The uncoordinated water molecule (O-atom site symmetry 2) was modelled as half occupied. In the crystal, C—HOw and Ow—HO (w = water) hydrogen bonds link the components into layers parallel to ab plane.
metal-organic compounds
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In the title compound, [Fe(C5H5)(C8H11N4S)], the cyclopentadienyl (Cp) rings of the ferrocene unit are close to being eclipsed. They are inclined to one another at an angle of 1.95 (2)° and lie 3.309 (2)Å away from each other. The ethylidenethiocarbonohydrazide fragment is planar, with an r.m.s. deviation of 0.0347 (2) Å from the mean plane of its eight non-H atoms, and makes dihedral angles of 21.78 (1) and 19.97 (1)° with respect to the two Cp rings. The molecule adopts a trans geometry about the C=N double bond. In the crystal, N—H(N/S) and C—HS interactions stack the molecules in an inverse fashion along the b axis.
metal-organic compounds
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In the title complex, [PtCl2(C6H16N2)], the PtII atom adopts a distorted cis-PtN2Cl2 square-planar coordination geometry. The five-membered chelate ring adopts a twisted conformation. In the crystal, weak C—HCl hydrogen bonds link the molecules into (001) sheets.
organic compounds
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In the title compound, C14H17NO5S, the thiazine ring adopts a half-chair conformation. The molecule exhibits an intramolecular O—HO hydrogen bond, which forms a six-membered S(6) ring motif. The planes of the benzene and thiazine rings are inclined at a dihedral angle of 15.30 (12)°.
organic compounds
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In the title compound, C14H15NO5S, the thiazine ring adopts a sofa conformation and an intramolecular O—HO hydrogen bond forms an S(6) ring. In the crystal, molecules are linked viaC—HO interactions.
organic compounds
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In the title compound, C18H19N3O2S, the thiazine ring adopts an envelope conformation, with the S atom displaced by 0.732 (1) Å from the other atoms of the ring. The phenyl ring is oriented at a dihedral angle of 79.33 (7)° with respect to the fused benzene ring. The conformations about the two double bonds in the R2C=N—N=C(CH3)Ar grouping are Z and E, respectively. In the crystal, inversion dimers linked by pairs of C—HO interactions generate R22(8) and R22(12) loops, as parts of infinite chains along the a-axis direction.
organic compounds
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The asymmetric unit of the title compound, C15H18BrN3O2S, contains two independent molecules in both of which the (thiazine)C=N—N double bond exhibits an E conformation. The cyclohexyl rings adopt chair conformations while the thiazine rings are in sofa conformations. The mean planes of these rings are oriented at dihedral angles of 64.43 (13) and 28.6 (2)° in the two independent molecules while the aromatic and thiazine rings are twisted by dihedral angles of 8.73 (8) and 13.07 (2)°, respectively. In the crystal, C—HO and C—HBr interactions connect molecules into chains propagating along the a axis.
organic compounds
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In the title compound, C14H12FNO4S, the dihedral angle between the aromatic rings is 50.26 (9)° and the C—S—N—C bond adopts a gauche conformation [torsion angle = −68.12 (15)°]. The dihydrodioxine ring is disordered over two orientations, which both approximate to half-chairs, in a 0.880 (7):0.120 (7) ratio. In the crystal, N—HO hydrogen bonds link the molecules into C(4) chains propagating in [100]. Weak C—HO and C—HF interactions consolidate the packing.
organic compounds
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In the title compound, C13H11Cl2NO2S, the dihedral angle between the aromatic rings is 76.62 (10)° and the C—S—N—C linkage between the rings adopts a gauche conformation [torsion angle = −51.4 (2)°]. A weak intramolecular C—HO interaction closes an S(6) ring. In the crystal, inversion dimers linked by pairs of N—HO hydrogen bonds generate R22(8) loops.
organic compounds
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In the title compound, C12H16N2O6S, the S atom adopts a distorted tetrahedral geometry with an O—S—O angle of 119.76 (13)°. The nitro group is twisted by 35.34 (2)° with respect to the aromatic ring; it accepts an N—HO hydrogen bond, resulting in a S(7) motif. In the crystal, N—HO and O—HO hydrogen bonds connect the molecules into an infinite chain along the a axis. The methyl C atoms of the isopropyl group are disordered in a 1:1 ratio.
organic compounds
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In the crystal structure of the title compound, C11H15NO4S, two independent molecules are present per asymmetric unit; they are dimerized through O—HO hydrogen bonds between their carboxy groups to generate R22(8) loops. An intramolecular N—HO link in one of the molecules closes an S(5) ring. The dimers are linked by N—HO and C—HO hydrogen bonds to form a three-dimensional network. The C atoms of the isopropyl group of one of the molecules are disordered over two orientations in a 3:1 ratio.
organic compounds
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In the title compound, C14H21NO4S, the O—S—O angle is 120.06 (11)°, with the S atom adopting a distorted tetrahedral geometry. In the crystal, N—HO hydrogen bonds connect the molecules along the a axis, generating an infinite chain. The disordered C atoms of the isobutyl group were refined with the C—C distances restrained to 1.52 (1) Å and the occupancy ratio refined to 0.504 (3):0.496 (3).
organic compounds
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In the title compound C8H6BrN3O, the benzotriazole ring is essentially planar (r.m.s. deviation = 0.0034 Å) and the bromoacetyl unit is twisted at a dihedral angle of 15.24 (16)° with respect to it. In the crystal, pairs of C—HO hydrogen bondings result in the formation of inversion dimers, forming R22(12) rings, which are connected by further C—HO interactions into chains extending along the b-axis direction.
organic compounds
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In the title compound, C15H13N3O2, the dihedral angle between the benzotriazole ring system (r.m.s. deviation = 0.0124 Å) and the benzene ring is 76.21 (3)°. The methoxy C atom deviates from its benzene ring plane by 0.063 (2)Å. In the crystal, inversion dimers linked by pairs of C—HO hydrogen bonds generate R22(12) loops.
organic compounds
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The molecule of the title compound, C11H13ClN2O3, is planar (r.m.s. deviation = 0.0587 Å for non-H atoms) and adopts a Z conformation about the C=N double bond. In the crystal, molecules are linked via an N—HO hydrogen bond, forming zigzag chains propagating along [010]. These chains are consolidated by C—HO hydrogen bonds.
organic compounds
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The molecule of the title compound, C11H13ClN2O2, is approximately planar (r.m.s. deviation = 0.099 Å for non-H atoms) and adopts a Z conformation about the C=N double bond. In the crystal, molecules are linked by N—HO and C—HO hydrogen bonds to the same O-atom acceptor, forming zigzag chains propagating along [010]. These interactions give rise to R21(6) loops.