Methyl N′-cyano-N-(3-pyridylmethyl)imidothiocarbamate
✍ Scribed by Lan, Bi-Jian ;Guo, Peng ;Zou, Zhen-Guang ;Lu, Yin-Xiang
- Publisher
- International Union of Crystallography
- Year
- 2005
- Tongue
- English
- Weight
- 281 KB
- Volume
- 62
- Category
- Article
- ISSN
- 1600-5368
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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
Single-crystal X-ray study T = 294 K Mean (C-C) = 0.005 A R factor = 0.070 wR factor = 0.133 Data-to-parameter ratio = 12.5 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
The title compound, C 12 H 15 NO 3 , crystallizes with two independent molecules in the asymmetric unit. The bond lengths and angles in both molecules are within normal ranges. There are some weak intermolecular hydrogen-bond interactions in the crystal structure, which provide stabilization.
In the crystal structure of the title complex, C 21 H 21 N, the molecule lies on a twofold rotation axis. The N atom is sp 2 hybridized. Comparisons are made with similar compounds in this series.