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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...

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Detalles Bibliográficos
Autores principales: Khan, Ashraf Y., Fathima, Nikhath, Kalashetti, Mallikarjun B., Begum, Noor Shahina, Khazi, I. M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
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
Descripción
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.