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2-Dicyclo-hexyl-amino-3-phenyl-5,6-di-hydro-8H-thio-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one.

ABSTRACT: In the title compound, C(27)H(33)N(3)OS(2), the dihedral angle between the two fused rings of the thieno[3,2-d]pyrimidine system is 3.73?(9)°. The phenyl ring is twisted with respect to the pyrimidine ring [dihedral angle = 71.60?(10)°] and the thio-pyran ring shows an envelope conformation with the S atom as the flap. An intra-molecular C-H?O inter-action occurs. In the crystal, inversion dimers linked by pairs of C-H?O hydrogen bonds occur.

SUBMITTER: Liang X

PROVIDER: S-EPMC3100021 | biostudies-literature | 2011 Apr

REPOSITORIES: biostudies-literature

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2-Dicyclo-hexyl-amino-3-phenyl-5,6-di-hydro-8H-thio-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one.

Liang Xizhen X Zhou Yueming Y

Acta crystallographica. Section E, Structure reports online 20110315 Pt 4

In the title compound, C(27)H(33)N(3)OS(2), the dihedral angle between the two fused rings of the thieno[3,2-d]pyrimidine system is 3.73 (9)°. The phenyl ring is twisted with respect to the pyrimidine ring [dihedral angle = 71.60 (10)°] and the thio-pyran ring shows an envelope conformation with the S atom as the flap. An intra-molecular C-H⋯O inter-action occurs. In the crystal, inversion dimers linked by pairs of C-H⋯O hydrogen bonds occur. ...[more]

PMID: 21754164

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