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(2S)-2-(3-Benzoyl­thio­ureido)-3-methyl­butyric acid

✍ Scribed by Ngah, Nurziana ;Shah, Nabihah M. ;Kassim, Mohammad B. ;Yamin, Bohari M.

Publisher
International Union of Crystallography
Year
2005
Tongue
English
Weight
197 KB
Volume
61
Category
Article
ISSN
1600-5368

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✦ Synopsis

The 3-methylbutyric acid and benzoyl fragments in the title compound, C 13 H 16 N 2 O 3 S, are cis and trans, respectively, with respect to the thiono group across the thiourea C-N bonds. In the crystal structure the molecules are stabilized by intermolecular N-HÁ Á ÁO, O-HÁ Á ÁS and C-HÁ Á ÁO hydrogen bonds to form zigzag chains parallel to the b axis.

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Single-crystal X-ray study T = 273 K Mean '(C±C) = 0.003 A Ê R factor = 0.045 wR factor = 0.123 Data-to-parameter ratio = 18.2 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.

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