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2-Amino-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
In the title compound, C(10)H(12)N(2)S, the thiophene ring is essentially planar (r.m.s. deviation = 0.0290 Å). The two C atoms of the cyclohexene ring (at positions 6 and 7) are disordered over two sets of sites in a 0.810 (5):0.190 (5) ratio. The cyclohexene rings in both the major and minor oc...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3470379/ https://www.ncbi.nlm.nih.gov/pubmed/23125792 http://dx.doi.org/10.1107/S160053681204010X |
Sumario: | In the title compound, C(10)H(12)N(2)S, the thiophene ring is essentially planar (r.m.s. deviation = 0.0290 Å). The two C atoms of the cyclohexene ring (at positions 6 and 7) are disordered over two sets of sites in a 0.810 (5):0.190 (5) ratio. The cyclohexene rings in both the major and minor occupancy conformers adopt a half-chair conformation. In the crystal, there are two types of N—H⋯N interaction. One of these results in centrosymmetric head-to-head dimers corresponding to an R (2) (2)(12) graph-set motif and the other forms a 20-membered macrocyclic ring involving six molecules. |
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