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N-Benzyl-thieno[3,2-d]pyrimidin-4-amine.

ABSTRACT: The title compound, C13H11N3S, crystallizes with two independent mol-ecules in the asymmetric unit. The two mol-ecules are geometrically very similar and differ mainly in a spatial orientation of the benzene and thieno[3,2-d]pyrimidine ring systems [dihedral angles = 69.49?(4) and 79.05?(3)°]. The nine-membered thieno[3,2-d]pyrimidine moieties have a planar conformation (r.m.s. deviations = 0.020 and 0.012?Å). In the crystal, mol-ecules are linked through N-H?N, N-H?C and C-H?? non-covalent contacts into chains along the c axis, while neighbouring chains are connected via C-H?N inter-actions.

SUBMITTER: Starha P

PROVIDER: S-EPMC3648234 | biostudies-literature | 2013 May

REPOSITORIES: biostudies-literature

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N-Benzyl-thieno[3,2-d]pyrimidin-4-amine.

Starha Pavel P Trávníček Zdeněk Z

Acta crystallographica. Section E, Structure reports online 20130413 Pt 5

The title compound, C13H11N3S, crystallizes with two independent mol-ecules in the asymmetric unit. The two mol-ecules are geometrically very similar and differ mainly in a spatial orientation of the benzene and thieno[3,2-d]pyrimidine ring systems [dihedral angles = 69.49 (4) and 79.05 (3)°]. The nine-membered thieno[3,2-d]pyrimidine moieties have a planar conformation (r.m.s. deviations = 0.020 and 0.012 Å). In the crystal, mol-ecules are linked through N-H⋯N, N-H⋯C and C-H⋯π non-covalent cont ...[more]

PMID: 23723854

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