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Benzyl 2-(4-bromo-anilino)-4,4-dimethyl-6-oxocyclo-hex-1-enecarbodithio-ate: first triclinic polymorph.

ABSTRACT: The six-membered cyclo-hexene ring in the title compound, C(22)H(22)BrNOS(2), adopts an envelope conformation, with the C atom bearing the two methyl groups representing the flap. This atom deviates by 0.686?(4)?Å from the plane passing through the other five atoms of the ring (r.m.s. deviation = 0.025?Å). The mol-ecular conformation is stabilized by an intra-molecular N-H?S hydrogen bond.

SUBMITTER: El Ashry el SH

PROVIDER: S-EPMC2968658 | biostudies-literature | 2009 Feb

REPOSITORIES: biostudies-literature

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Benzyl 2-(4-bromo-anilino)-4,4-dimethyl-6-oxocyclo-hex-1-enecarbodithio-ate: first triclinic polymorph.

El Ashry El Sayed H el SH Amer Mohammed R MR Raza Shah Muhammad M Ng Seik Weng SW

Acta crystallographica. Section E, Structure reports online 20090225 Pt 3

The six-membered cyclo-hexene ring in the title compound, C(22)H(22)BrNOS(2), adopts an envelope conformation, with the C atom bearing the two methyl groups representing the flap. This atom deviates by 0.686 (4) Å from the plane passing through the other five atoms of the ring (r.m.s. deviation = 0.025 Å). The mol-ecular conformation is stabilized by an intra-molecular N-H⋯S hydrogen bond. ...[more]

PMID: 21582251

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Benzyl 2-(4-bromo-anilino)-4,4-dimethyl-6-oxo-cyclo-hex-1-enecarbodithio-ate: second triclinic polymorph.

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