Methyl (4,5-dibromo-1-methyl-1H-pyrrole-2-carbonylamino)acetate
✍ Scribed by Zeng, Xiang Chao ;Xu, Shi Hai ;Deng, Qin Ying ;Cai, Ji Wen ;Guo, Shu Hao ;Gu, Jian ;He, Dong Hong
- Publisher
- International Union of Crystallography
- Year
- 2004
- Tongue
- English
- Weight
- 185 KB
- Volume
- 60
- Category
- Article
- ISSN
- 1600-5368
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📜 SIMILAR VOLUMES
In the title compound, C 9 H 12 N 6 OS, the pyrazole and triazole rings are nearly coplanar, forming a dihedral angle of 6.50 (9) . There are N-HÁ Á ÁN intermolecular hydrogen-bond interactions in the crystal structure, providing stabilization.
The title compound, C 4 H 4 Br 2 N 2 , crystallizes with two molecules in the asymmetric unit. Each molecule forms stacks with its own kind, the stacks being approximately orthogonal to each other. Both Br atoms in molecule 1 form Lewis acid± base interactions with N atoms in molecule 2, with BrÁ Á
Single-crystal X-ray study T = 173 K Mean '(C±C) = 0.006 A Ê R factor = 0.097 wR factor = 0.222 Data-to-parameter ratio = 12.7 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.