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(E)-O-Methyl N-(4-methyl­phen­yl)thio­carbamate

✍ Scribed by Ho, Soo Yei ;Kuan, Fong Sheen ;Tiekink, Edward R. T.

Publisher
International Union of Crystallography
Year
2007
Tongue
English
Weight
137 KB
Volume
63
Category
Article
ISSN
1600-5368

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Single-crystal X-ray study T = 150 K Mean (C-C) = 0.003 A R factor = 0.052 wR factor = 0.162 Data-to-parameter ratio = 25.2 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.

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The title compound, C~13~H~12~N~2~OS, was prepared by the reaction of (4-pyridyl)methanol with phenyl isothiocyanate and NaOH in a 1,4-dioxane solution. The asymmetric unit contains two independent molecules. The molecular structure and packing are stabilized by N—H...N intermolecular hydrogen-bond

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The central CNC( S)O entity in MeOC( S)N(H)Ph, C 8 H 9 NOS, is effectively planar and shows that the molecule exists as a thione. In the crystal structure, molecules related by a centre of symmetry are associated via NÐHÁ Á ÁS interactions, forming thioamide dimers.