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(Z)-3-(4-Bromo-phen-yl)-2-[(2-phenyl-cyclo-hex-2-en-1-yl)imino]-1,3-thia-zol-idin-4-one.

ABSTRACT: The title compound, C(21)H(19)BrN(2)OS, exists in a cis conformation with respect to the N=C bond [1.2602?(14)?Å]. The cyclo-hexene ring adopts a distorted half-chair conformation and the C-N bond lies in an equatorial orientation. The thia-zolidine ring forms dihedral angles of 53.76?(7) and 57.22?(7)° with the benzene and bromo-substituted benzene rings, respectively. The dihedral angle between the benzene and bromo-substituted benzene rings is 76.06?(7)°. In the crystal, inversion dimers linked by pairs of C-H?O hydrogen bonds generate R(2) (2)(14) loops. The crystal is further consolidated by weak C-H?? inter-actions.

SUBMITTER: Ooi CW

PROVIDER: S-EPMC3393268 | biostudies-other | 2012 Jul

REPOSITORIES: biostudies-other

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(Z)-3-(4-Bromo-phen-yl)-2-[(2-phenyl-cyclo-hex-2-en-1-yl)imino]-1,3-thia-zol-idin-4-one.

Ooi Chin Wei CW Fun Hoong-Kun HK Quah Ching Kheng CK Sathishkumar Murugan M Ponnuswamy Alagusundaram A

Acta crystallographica. Section E, Structure reports online 20120602 Pt 7

The title compound, C(21)H(19)BrN(2)OS, exists in a cis conformation with respect to the N=C bond [1.2602 (14) Å]. The cyclo-hexene ring adopts a distorted half-chair conformation and the C-N bond lies in an equatorial orientation. The thia-zolidine ring forms dihedral angles of 53.76 (7) and 57.22 (7)° with the benzene and bromo-substituted benzene rings, respectively. The dihedral angle between the benzene and bromo-substituted benzene rings is 76.06 (7)°. In the crystal, inversion dimers link ...[more]

PMID: 22807825

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