The title compound, C14H11FN2OS, contains two molecules (A and B) in the asymmetric unit, with different conformations. In molecule A, the dihedral angles between the central thiourea grouping and the phenyl and fluorobenzene rings are 28.77 (8) and 41.82 (8)°, respectively, and the dihedral angle between the ring planes is 70.02 (9)°. Equivalent data for molecule B are 8.46 (8), 47.78 (8) and 52.99 (9)°, respectively. Both molecules feature an intramolecular N—H⋯O hydrogen bond, which closes an S(6) ring. In the crystal, A+B dimers linked by pairs of N—H⋯S hydrogen bonds generate R
crystal structure; thiourea; amide; hydrogen-bonded dimers
In the title compound, C13H8Cl3NO4S, the aromatic rings are oriented at a dihedral angle of 68.94 (1)° and the molecule adopts a V-shape. An intramolecular N—H⋯O interaction generates a six-membered S(6) ring motif. In the crystal, pairs of O—H⋯O hydrogen bonds involving the carboxy group link the molecules into inversion dimers with an R
2(8) motif. N—H⋯O and non-classical C—H⋯O interactions connect the molecules, forming sheets propagating in (100).
In the title hydrate, C13H10N4O2S·H2O, the dihedral angles between the central pyrazole ring and its pendant phenyl and thiadiazole rings are 9.93 (8) and 4.56 (7)°, respectively. In the crystal, the components are linked by N—H⋯O, O—H⋯N and O—H⋯O hydrogen bonds, generating  chains incorporating R
4(10) loops. A weak C—H⋯O interaction helps to consolidate the packing.
Two independent molecules, A and B, comprise the asymmetric unit of the title compound, C21H18N2OS, with the difference in the angle of orientation between the naphthalene ring system and the mean plane of the cycloheptyl ring [16.13 (1) in A and 11.48 (5)° in B], being evident. The cycloheptyl ring adopts a distorted chair conformation in each molecule with r.m.s. deviations of 0.2345 (4) (A) and 0.2302 (4) Å (B). Intramolecular O—H⋯N hydrogen bonding generates planar six-membered S(6) loops with r.m.s. deviations of 0.0099 (1) (A) and 0.0286 (1) Å (B).
In the title compound, C19H17NO4S, the phenyl ring and the naphthalene ring system are oriented at a dihedral angle of 4.12 (2)° and the molecule adopts a U-shaped conformation. The Cc—C—N—S (c = carboxy) torsion angle is 90.98 (15)°. In the crystal, molecules are linked by O—H⋯O and N—H⋯O hydrogen bonds, resulting in (100) chains incorporating centrosymmetric R
2(14) and R
2(10) loops. Weak aromatic π–π stacking is also observed [centroid–centroid separations = 3.963 (2) and 3.932 (2) Å].
The title compound, C18H22N2O5S, is largely planar, with an r.m.s. deviation of 0.0546 (1) Å of atoms from the mean plane through all non-H atoms except for the methyl groups. The benzene and pyrimidinedione rings are inclined to one another at a dihedral angle of 1.41 (7)°. In the crystal, weak C—H⋯O interactions connect the molecules into chains propagating along the b-axis direction.
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—H⋯Cl hydrogen bonds link the molecules into (001) sheets.
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—H⋯O and C—H⋯O hydrogen bonds to the same O-atom acceptor, forming zigzag chains propagating along . These interactions give rise to R
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—H⋯S interactions stack the molecules in an inverse fashion along the b axis.
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—H⋯O hydrogen bond, forming zigzag chains propagating along . These chains are consolidated by C—H⋯O hydrogen bonds.
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—H⋯O hydrogen bonds generate R
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—H⋯O hydrogen bondings result in the formation of inversion dimers, forming R
2(12) rings, which are connected by further C—H⋯O interactions into chains extending along the b-axis direction.
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—H⋯O 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).
In the crystal structure of the title compound, C11H15NO4S, two independent molecules are present per asymmetric unit; they are dimerized through O—H⋯O hydrogen bonds between their carboxy groups to generate R
2(8) loops. An intramolecular N—H⋯O link in one of the molecules closes an S(5) ring. The dimers are linked by N—H⋯O and C—H⋯O 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.
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—H⋯O hydrogen bond, resulting in a S(7) motif. In the crystal, N—H⋯O and O—H⋯O 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.
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—H⋯O interaction closes an S(6) ring. In the crystal, inversion dimers linked by pairs of N—H⋯O hydrogen bonds generate R
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—H⋯O hydrogen bonds link the molecules into C(4) chains propagating in . Weak C—H⋯O and C—H⋯F interactions consolidate the packing.
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—H⋯O and C—H⋯Br interactions connect molecules into chains propagating along the a axis.
In the title compound, C14H15NO5S, the thiazine ring adopts a sofa conformation and an intramolecular O—H⋯O hydrogen bond forms an S(6) ring. In the crystal, molecules are linked viaC—H⋯O interactions.
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 R
2C=N—N=C(CH3)Ar grouping are Z and E, respectively. In the crystal, inversion dimers linked by pairs of C—H⋯O interactions generate R
2(8) and R
2(12) loops, as parts of infinite chains along the a-axis direction.
In the title compound, C14H17NO5S, the thiazine ring adopts a half-chair conformation. The molecule exhibits an intramolecular O—H⋯O 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)°.
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—H⋯Ow and Ow—H⋯O (w = water) hydrogen bonds link the components into layers parallel to ab plane.
In the title compound, C10H12N2O5S, one of the sulfonyl O atoms is hydrogen bonded to the amido N atom of an adjacent molecule. There is also a weak hydrogen-bonding interaction between the other sulfonyl O atom and the secondary amino N atom. In addition, the amido O atom is also hydrogen bonded to a carboxyl O atom. These hydrogen-bonding interactions give rise to a layer structure parallel to the bc plane.
The title compound, C15H23NO2S, synthesized by N-methylation of cyclohexylamine sulfonamide with propyl iodide, is of interest as a precursor to biologically active sulfur-containing heterocyclic compounds. The cyclohexyl ring exists in the chair form and the dihedral angle between the ring plane of the benzene ring and that of the cyclohexyl ring is 50.13 (9)°.
In the title compound, C20H25NO2S, the cyclohexyl ring exists in a chair form and the mean plane through all six atoms makes dihedral angles of 56.12 (9) and 55.19 (10)° with the benzene and phenyl rings, respectively. The dihedral angle between the two aromatic rings is 77.23 (7)°. A weak intramolecular C—H⋯O interaction occurs.