Redetermination of rhodanine at 173 K
✍ Scribed by Ng, Seik Weng
- Publisher
- International Union of Crystallography
- Year
- 2007
- Tongue
- English
- Weight
- 72 KB
- Volume
- 63
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
The crystal structure of the title compound, C~3~H~3~NOS~2~, has been redetermined at 173 K. The geometric parameters show a significant improvement in precision from the orginal determination [Van der Helm, Lessor & Merritt (1962). Acta Cryst. 15, 1227–1232], where the data were measured using photographic film. In the crystal structure, molecules form planar N—H...S hydrogen-bonded dimers.
📜 SIMILAR VOLUMES
Single-crystal X-ray study T = 100 K Mean '(C±C) = 0.002 A Ê R factor = 0.045 wR factor = 0.148 Data-to-parameter ratio = 16.5 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
The crystal structure of the title compound, C 3 H 10 N + ÁI À , originally determined by Sheldrick & Sheldrick [Acta Cryst. (1970), B26, 1334-1338], has been redetermined at 93 K. Both ions lie on a mirror plane. They form N-HÁ Á ÁI hydrogenbonded units in the crystal structure.