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2-Hydroxy-ethyl 2-(2,4-dichloro-anilino)-4,4-dimethyl-6-oxocyclo-hex-1-ene-carbo-dithio-ate.

ABSTRACT: The six-membered cyclo-hexene ring in the title compound, C(17)H(19)Cl(2)NOS(2), adopts an envelope conformation, with the C atom bearing the two methyl groups representing the flap. This atom deviates by 0.716?(3)?Å from the plane passing through the other five atoms of the ring (r.m.s. deviation = 0.072?Å). The mol-ecular conformation is stabilized by an intra-molecular N-H?S hydrogen bond. The hydr-oxy group engages in inter-molecular O-H?O hydrogen bonding with adjacent acceptor atoms to generate a zigzag chain running along the c axis.

SUBMITTER: El Ashry el SH

PROVIDER: S-EPMC2968539 | biostudies-literature | 2009 Feb

REPOSITORIES: biostudies-literature

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2-Hydroxy-ethyl 2-(2,4-dichloro-anilino)-4,4-dimethyl-6-oxocyclo-hex-1-ene-carbo-dithio-ate.

El Ashry El Sayed H el SH Amer Mohammed R MR Shah M Raza MR 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(17)H(19)Cl(2)NOS(2), adopts an envelope conformation, with the C atom bearing the two methyl groups representing the flap. This atom deviates by 0.716 (3) Å from the plane passing through the other five atoms of the ring (r.m.s. deviation = 0.072 Å). The mol-ecular conformation is stabilized by an intra-molecular N-H⋯S hydrogen bond. The hydr-oxy group engages in inter-molecular O-H⋯O hydrogen bonding with adjacent acceptor atoms to gen ...[more]

PMID: 21582256

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