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1-(6-Methyl-3-phenyl-2-sulfanyl-idene-1,2,3,4-tetra-hydro-pyrimidin-5-yl)ethanone.

ABSTRACT: In the title compound, C(13)H(14)N(2)OS, four C atoms of the phenyl ring are disordered over two sets of sites in a 0.60 (3):0.40 (3) ratio. The heterocyclic ring is essentially planar (r.m.s. deviation = 0.017 Å) and forms dihedral angles of 82.0 (2) and 79.3 (3)°, respectively, with the major and minor occupancy components of the phenyl ring. The crystal packing features N-H⋯O hydrogen bonds, which link the mol-ecules into C(6) chains running parallel to the b axis.

SUBMITTER: Garibov EN

PROVIDER: S-EPMC3274973 | biostudies-literature | 2012 Feb

REPOSITORIES: biostudies-literature

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1-(6-Methyl-3-phenyl-2-sulfanyl-idene-1,2,3,4-tetra-hydro-pyrimidin-5-yl)ethanone.

Garibov Emin N EN Gojayeva Sevinj S SS Allahverdiyev Mirze A MA Gurbanov Atash V Gurbanov AV Brito Iván I

Acta crystallographica. Section E, Structure reports online 20120107 Pt 2

In the title compound, C(13)H(14)N(2)OS, four C atoms of the phenyl ring are disordered over two sets of sites in a 0.60 (3):0.40 (3) ratio. The heterocyclic ring is essentially planar (r.m.s. deviation = 0.017 Å) and forms dihedral angles of 82.0 (2) and 79.3 (3)°, respectively, with the major and minor occupancy components of the phenyl ring. The crystal packing features N-H⋯O hydrogen bonds, which link the mol-ecules into C(6) chains running parallel to the b axis. ...[more]

PMID: 22346918

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