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2-Amino-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile.
- Source :
-
Acta crystallographica. Section E, Structure reports online [Acta Crystallogr Sect E Struct Rep Online] 2012 Oct 01; Vol. 68 (Pt 10), pp. o3025. Date of Electronic Publication: 2012 Sep 26. - Publication Year :
- 2012
-
Abstract
- In the title compound, C(10)H(12)N(2)S, the thio-phene ring is essentially planar (r.m.s. deviation = 0.0290 Å). The two C atoms of the cyclo-hexene ring (at positions 6 and 7) are disordered over two sets of sites in a 0.810 (5):0.190 (5) ratio. The cyclo-hexene 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 inter-action. 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 mol-ecules.
Details
- Language :
- English
- ISSN :
- 1600-5368
- Volume :
- 68
- Issue :
- Pt 10
- Database :
- MEDLINE
- Journal :
- Acta crystallographica. Section E, Structure reports online
- Publication Type :
- Academic Journal
- Accession number :
- 23125792
- Full Text :
- https://doi.org/10.1107/S160053681204010X