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2-(4-Morpholine-carbothio-ylsulfan-yl)-acetic acid.

ABSTRACT: The asymmetric unit of the title compound, C(7)H(11)NO(3)S(2), contains two independent mol-ecules with similar mol-ecular structures. The morpholine ring adopts a chair conformation, and the C(2)N-C(=S)-S fragment is planar in the two independent mol-ecules (r.m.s. deviations = 0.01 and 0.02?Å). The two mol-ecules are disposed about a false center of inversion and are held together by a pair of O-H?O hydrogen bonds. The crystal studied was a racemic twin; the minor twin component refined to 17%.

SUBMITTER: Lo KM 

PROVIDER: S-EPMC2979280 | biostudies-literature | 2010 Apr

REPOSITORIES: biostudies-literature

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2-(4-Morpholine-carbothio-ylsulfan-yl)-acetic acid.

Lo Kong Mun KM   Ng Seik Weng SW  

Acta crystallographica. Section E, Structure reports online 20100414 Pt 5

The asymmetric unit of the title compound, C(7)H(11)NO(3)S(2), contains two independent mol-ecules with similar mol-ecular structures. The morpholine ring adopts a chair conformation, and the C(2)N-C(=S)-S fragment is planar in the two independent mol-ecules (r.m.s. deviations = 0.01 and 0.02 Å). The two mol-ecules are disposed about a false center of inversion and are held together by a pair of O-H⋯O hydrogen bonds. The crystal studied was a racemic twin; the minor twin component refined to 17%  ...[more]

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