organic compounds
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In the crystal structure of title compound, C9H10N2OS, there are two symmetry-independent molecules, each having an intramolecular N—HO hydrogen bond generating an S(6) ring motif. The benzene rings and the virtually planar acetylthoiurea fragments [r.m.s. deviations = 0.0045 and 0.0341 Å] are oriented at dihedral angles of 50.71 (6) and 62.79 (6)° in the two molecules. In the crystal, N—HS and N—HO hydrogen bonds link molecules via cyclic R22(8) and R22(12) motifs into a one-dimensional polymeric network extending along [101]. The intra- and intermolecular N—HO interactions are part of a three-center hydrogen bond. A C—HS interaction also occurs.
organic compounds
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In the title compound, C10H12N2OS, the toluene and the N-carbamothioylacetamide units are oriented at dihedral angle of 78.75 (5)°. An intramolecular N—HO hydrogen bond generates an S(6) ring. In the crystal, molecules are linked into [101] chains by pairs of N—HS hydrogen bonds [which generate R22(8) loops] and pairs of O—HO hydrogen bonds [which generate R22(4) loops]. The two motifs alternate in the chain.
organic compounds
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In the title compound, C9H9ClN2OS, the 3-chlorophenyl and acetylthiourea fragments are oriented at a dihedral angle of 62.68 (5)°. An intramolecular N—HO hydrogen bond generates an S(6) ring motif. Molecules are linked into dimers via a cyclic R22(8) motif of N—HS hydrogen bonds. These dimers are further connected through C—HS interactions, completing an R22(12) motif, into chains along [010].
organic compounds
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In the title compound, C9H9N3O3S, the benzene ring and the N-carbamothioylacetamide unit are oriented at a dihedral angle of 54.82 (4)°. The dihedral angle between the ring and its attached nitro group is 28.54 (12)°. An intramolecular, bifurcated N—H(O,O) hydrogen bond generates two S(6) rings. In the crystal, inversion dimers linked by pairs of N—HS hydrogen bonds generate R22(8) loops. Weak C—HO interactions link the dimers.
organic compounds
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In the title molecule, C20H19FN4O3S, the heterocyclic thiazine ring adopts a half-chair conformation with the S atom displaced by 0.668 (4) Å from the mean plane formed by the remaining ring atoms. The mean planes of the benzene and pyrazole rings are inclined with respect to each other at a dihedral angle of 17.4 (3)°. The acetamide chain (O/N/C/C/C) linking the pyrazole and 2-fluorobenzyl rings is essentially planar (r.m.s. deviation = 0.030 Å) and forms dihedral angles with the mean planes of these rings of 78.8 (2) and 78.89 (14)°, respectively. The crystal structure is stabilized by N—HO and C—HO hydrogen-bonding interactions, resulting in a six-membered ring with an R21(6) motif, while C—HO and C—HF hydrogen-bonding interactions result in chains of molecules lying along the c axis in a zigzag fashion.
organic compounds
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The asymmetric unit of the title compound, C15H10ClNO4S, contains two independent conformers wherein the 2-chlorophenyl group in one is rotated by approximately 180° compared to the other molecule. This affects the S—N—C—C(=O) and N—C—C(=O)—C torsion angles giving vlaues of −87.0 (2) and 158.7 (2)° in one molecule and −104.3 (2) and −173.4 (2)° in the other. The benzisothiazole ring systems in the two molecules are essentially planar (r.m.s. deviations = 0.017 and 0.010 Å) and form dihedral angles of 73.53 (7) and 73.26 (6)° with the benzene rings. In the crystal, there are weak π–π interactions between the benzene rings of the benzisothiazole groups and symmetry-related chlorobenzene rings with centroid–centroid distances of 3.6178 (13) and 3.6267 (15) Å. In addition, pairs of weak intermolecular C—HO hydrogen bonds form inversion dimers which are connected by further C—HO hydrogen bonds into a three-dimensional network.