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Crystal structure of 2-(4-chloro-phen-yl)-3-(4-meth-oxy-phen-yl)-3-(methyl-sulfanyl)-acrylo-nitrile.

ABSTRACT: In the title compound, C17H14ClNOS, the aromatic rings are inclined to one another by 64.22?(9)°. The acrylo-nitrile group (C=C-C N) is planar to within 0.003?(2)?Å, with the S atom and the methyl C atom displaced from this plane by 0.2317?(6) and -0.637?(2)?Å, respectively. In the crystal, mol-ecules are linked via pairs of C-H?? inter-actions, forming inversion dimers. There are no other significant inter-molecular inter-actions present.

SUBMITTER: Kumar S

PROVIDER: S-EPMC4257267 | biostudies-literature | 2014 Nov

REPOSITORIES: biostudies-literature

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Crystal structure of 2-(4-chloro-phen-yl)-3-(4-meth-oxy-phen-yl)-3-(methyl-sulfanyl)-acrylo-nitrile.

Kumar Shamantha S Hosamani Amar A AA Vinayaka A C AC Sadashiva M P MP Doreswamy B H BH

Acta crystallographica. Section E, Structure reports online 20141011 Pt 11

In the title compound, C17H14ClNOS, the aromatic rings are inclined to one another by 64.22 (9)°. The acrylo-nitrile group (C=C-C N) is planar to within 0.003 (2) Å, with the S atom and the methyl C atom displaced from this plane by 0.2317 (6) and -0.637 (2) Å, respectively. In the crystal, mol-ecules are linked via pairs of C-H⋯π inter-actions, forming inversion dimers. There are no other significant inter-molecular inter-actions present. ...[more]

PMID: 25484799

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