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(E)-3-Anilino-2-benzoyl-3-(methyl-sulfan-yl)acrylonitrile.

ABSTRACT: In the title acrylonitrile derivative, C(17)H(14)N(2)OS, the central amino-acryl-aldehyde O=C-C=C-NH unit, wherein an intra-molecular N-H?O hydrogen bond generates an S(6) ring motif, is approximately planar, with an r.m.s. deviation of 0.0234?(2)?Å for the five non-H atoms. This plane makes dihedral angles of 41.04?(9) and 84.86?(10)° with the two phenyl rings. The dihedral angle between the two phenyl rings is 54.82?(10)°. An intra-molecular C-H?N hydrogen bond is also present. In the crystal, weak C-H?? and ?-? inter-actions, with a centroid-centroid distance of 3.8526?(14)?Å, are observed.

SUBMITTER: Abdel-Aziz HA

PROVIDER: S-EPMC3344195 | biostudies-literature | 2012 Apr

REPOSITORIES: biostudies-literature

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(E)-3-Anilino-2-benzoyl-3-(methyl-sulfan-yl)acrylonitrile.

Abdel-Aziz Hatem A HA Ghabbour Hazem A HA Chantrapromma Suchada S Fun Hoong-Kun HK

Acta crystallographica. Section E, Structure reports online 20120331 Pt 4

In the title acrylonitrile derivative, C(17)H(14)N(2)OS, the central amino-acryl-aldehyde O=C-C=C-NH unit, wherein an intra-molecular N-H⋯O hydrogen bond generates an S(6) ring motif, is approximately planar, with an r.m.s. deviation of 0.0234 (2) Å for the five non-H atoms. This plane makes dihedral angles of 41.04 (9) and 84.86 (10)° with the two phenyl rings. The dihedral angle between the two phenyl rings is 54.82 (10)°. An intra-molecular C-H⋯N hydrogen bond is also present. In the crystal, ...[more]

PMID: 22606198

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