2-[(1,3-Benzodioxol-5-ylmethylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
نویسندگان
چکیده
The title compound, C(17)H(14)N(2)O(2)S, crystallizes with two roughly planar mol-ecules in the asymmetric unit, in which the dihedral angles between the 1,3-benzodioxole-5-carbaldehyde moiety and the heterocyclic five-membered ring are 3.76 (5) and 5.33 (12)°. In each mol-ecule, a short C-H⋯S contact generates an S(5) ring. In the crystal, pairs of mol-ecules are linked by a weak C-H⋯N inter-action, forming dimers.
منابع مشابه
2-Amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
In the title compound, C(10)H(12)N(2)S, one of the C atoms of the cyclo-hexene ring (at position 6) and the methyl group attached to it are disordered over two sets of sites in a 0.650 (3):0.350 (3) ratio. The cyclo-hexene ring in both the major and minor occupancy conformers adopts a half-chair conformation. The thio-phene ring is essentially planar (r.m.s. deviation = 0.05 Å). In the crystal,...
متن کامل2-[(2-Chlorobenzylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
In the title compound, C(16)H(13)ClN(2)S, the mean planes fitted through all non-H atoms of the heterocyclic five-membered and the benzene rings are oriented at a dihedral angle of 5.19 (7)°. In the crystal, a weak C-H⋯π inter-action occurs, along with weak π-π inter-actions [cenroid-centroid distance = 3.7698 (11) Å].
متن کامل2-[(4-Chlorobenzylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
In the title compound, C(16)H(13)ClN(2)S, the dihedral angle between the 4-chloro-benzaldehyde moiety and the heterocyclic five-membered ring is 7.21 (17)°. In the crystal, mol-ecules are linked by weak C-H⋯π inter-actions, generating [100] chains.
متن کامل2-Amino-7-oxo-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
In the title compound, C(9)H(8)N(2)OS, the benzothio-phene ring is substituted with amino, oxo and carbonitrile groups. The thio-phene ring is essentially planar (r.m.s. deviation = 0.0003 Å), while the cyclo-hexene ring is in a half-chair conformation. In the crystal, N-H⋯O hydrogen bonds generate chains of mol-ecules in a zigzag pattern along the b axis. Pairs of N-H⋯N hydrogen bonds form cen...
متن کاملCrystal structures of 2-amino-4,4,7,7-tetramethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium benzoate and 2-amino-4,4,7,7-tetramethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium picrate
In both 2-amino-4,4,7,7-tetra-methyl-4,5,6,7-tetra-hydro-1,3- benzo-thia-zol-3-ium benzoate, C11H19N2S+·C7H5O2-, (I), and 2-amino-4,4,7,7-tetra-methyl-4,5,6,7-tetra-hydro-1,3-benzo-thia-zol-3-ium picrate (2,4,6-tri-nitro-phenolate), C11H19N2S+·C6H2N3O7-, (II), the cations are conformationally chiral as the six-membered rings adopt half-chair conformations, which are disordered over two sets of ...
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