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4-Imino-2,7-dimethyl-5,6,7,8-tetra-hydro-4H-1-benzothieno[2,3-d]pyrimidin-3-amine.

Authors
  • Kalashetti, Mallikarjun B
  • Fathima, Nikhath
  • Khan, Ashraf Y
  • Begum, Noor Shahina
  • Khazi, I M
Type
Published Article
Journal
Acta Crystallographica Section E Structure Reports Online
Publisher
International Union of Crystallography
Publication Date
Aug 01, 2012
Volume
68
Issue
Pt 8
Identifiers
DOI: 10.1107/S1600536812031893
PMID: 22904911
Source
Medline
License
Unknown

Abstract

In the title compound, C(12)H(16)N(4)S, the fused benzothio-phene and the pyrimidine rings are coplanar [dihedral angle = 1.61 (6)°]. Three C atoms of the cyclohexene ring (at positions 3, 6 and 7) are disordered over two sites with an occupancy ratio of 0.702 (8):0.298 (8). The cyclo-hexene ring in both the major and minor components adopts a half-chair conformation. The crystal structure is stabilized by N-H⋯N and C-H⋯N inter-actions, resulting in the formation of inversion dimers with R(2) (2)(10) and R(2) (2)(12) graph-set motifs.

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