metal-organic compounds
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In the title compound, [ZnCl2(C14H12N2)2], the ZnII atom exhibits a distorted tetrahedral coordination geometry involving two chloride anions and two N-atom donors from 1-benzyl-1H-benzimidazole ligands. In both ligands, the benzyl and benzimidazole rings are nearly perpendicular [dihedral angles = 81.7 (2) and 81.5 (2)°]. The two benzimidazole systems are essentially planar [maximum deviations = 0.015 (3) and 0.020 (2) Å] and form a dihedral angle of 78.09 (8)°. In the crystal, centrosymmetrically related molecules are linked by pairs of C—HCl hydrogen bonds into chains parallel to the a axis.
organic compounds
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In the title compound, C15H16N4O3S, the six-membered heterocycle of the benzothiazine fragment exhibits a screw boat conformation. The dihedral angle between the planes through the triazole ring and the benzene ring fused to the 1,4-thiazine ring is 62.98 (11)°. The mean plane formed by the atoms belonging to the acetate group is nearly perpendicular to the triazole ring [dihedral angle = 74.65 (12)°]. In the crystal, molecules are linked by pairs of C—HO interactions, forming dimeric aggregates.
organic compounds
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In the title compound, C18H16N4OS, the six-membered heterocycle of the benzothiazine fragment exhibits a screw-boat conformation. The dihedral angles between the plane through the triazole ring and those through the fused and terminal benzene rings are 76.68 (11) and 71.0 (1)°, respectively; the benzene rings are nearly perpendicular [dihedral angle = 79.6 (1)°]. In the crystal, molecules are linked by C—HN and C—HO interactions, forming a three-dimensional network.
organic compounds
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The asymmetric unit of the title compound, C11H8N2O2, contains two independent molecules (A and B). Each molecule is build up from fused five- and six-membered rings with the former linked to a cyanoethyl group. The indoline ring and two carbonyl O atoms of each molecule are nearly coplanar, with the largest deviations from the mean planes being 0.0198 (9) (molecule A) and 0.0902 (9) Å (molecule B), each by a carbonyl O atom. The fused ring system is nearly perpendicular to the mean plane passing through the cyanoethyl chains, as indicated by the dihedral angles between them of 69.72 (9) (molecule A) and 69.15 (9)° (molecule B). In the crystal, molecules are linked by C—HO and π–π [intercentroid distance between inversion-related indoline (A) rings = 3.6804 (7) Å] interactions into a double layer that stacks along the a-axis direction.
organic compounds
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The asymmetric unit of the title compound, C18H16N4OS, contains two independent molecules of similar conformation, the most relevant difference being the dihedral angle formed by the benzene rings [57.8 (2) and 52.7 (2)°]. The six-membered heterocycle of the benzothiazine fragment exhibits a screw-boat conformation in both molecules. The plane through the triazole ring is nearly perpendicular to those through the fused and terminal benzene rings [dihedral angles of 74.2 (2) and 83.2 (2)° in one molecule, and 77.8 (2) and 82.9 (2)° in the other]. In the crystal, molecules are linked by C—HN and C—HO hydrogen bonds into chains parallel to the a-axis direction. The crystal used was a non-merohedral twin, the refined ratio of twin components being 0.85 (10):15 (10).
organic compounds
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In the title compound, C18H14N4O2, the triazole ring makes dihedral angles of 77.32 (8) and 75.56 (9)°, respectively, with the indoline residue and the terminal phenyl group. In the crystal, molecules are linked by C—HN hydrogen bonds into tapes parallel to the b axis. The tapes are linked together by π–π interactions between triazole rings [inter-centroid distance = 3.4945 (9) Å].
organic compounds
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The molecule of the title compound, C18H13NOS, is build up from two fused six-membered rings, with the heterocyclic component linked to a benzylidene group and to a prop-2-yn-1-yl chain. The six-membered heterocycle adopts a distorted screw-boat conformation. The prop-2-yn-1-yl chain is almost perpendicular to the mean plane through benzothiazine as indicated by the C-N-C-C torsion angle of 86.5 (2)°. The dihedral angle between the benzene rings is 47.53 (12)°. There are no specific intermolecular interactions in the crystal packing.
organic compounds
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In the title compound, C11H9NOS, the six-membered heterocycle of the benzothiazine fragment exhibits a screw-boat conformation. The benzene ring makes a dihedral angle of 79.4 (1)° with the mean plane through the prop-2-ynyl chain and the ring N atom. In the crystal, molecules are linked by C—HO interactions of the acetylenic C—H group towards the carbonyl O atom of a neighbouring molecule, forming zigzag chains running along the b-axis direction.
organic compounds
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In the title compound, C19H19NOS, the six-membered heterocyclic ring of the benzothiazine fragment exhibits a screw boat conformation. The plane of the fused benzene ring makes a dihedral angle of 72.38 (12)° with that of the terminal phenyl ring, and is nearly perpendicular to the mean plane formed by the atoms through the n-butyl chain, as indicated by the dihedral angle of 88.1 (2)°. In the crystal, molecules are linked by C—HO interactions to form supramolecular chains along [110].
data reports
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In the title compound, C7H8N4S, the methyl C atom is displaced by 1.232 (7) Å from the mean plane of the pyrazolo[3,4-d]pyrimidine ring system (r.m.s. deviation = 0.007 Å). The N—N—C—Cm (m = methyl) torsion angle is −60.3 (6)°. In the crystal, molecules are linked by N—HS hydrogen bonds, generating [010] chains, which are reinforced by C—HN interactions. The chains are cross-linked by weak C—HS hydrogen bonds, generating (001) sheets.
data reports
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In the title compound, C8H8N4S, the pyrazolo[3,4-d]pyrimidine ring system is essentially planar, with a maximum deviation from the mean plane of 0.025 (3) Å. The allyl group is disordered over two sites in a 0.512 (6):0.488 (6) ratio. In the crystal, molecules are linked by pairs of N—HN hydrogen bonds, forming inversion dimers with an R22(8) graph-set motif.