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2-Amino-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile.

Authors :
Khan AY
Fathima N
Kalashetti MB
Begum NS
Khazi IM
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