Ethyl 1-(2-bromoethyl)-3-ferrocenyl-1H-pyrazole-5-carboxylate
✍ Scribed by Xie, Yong-Sheng ;Dong, Wen-Liang ;Zheng, Liang-Wen ;Zhang, Jin-Hua ;Zhao, Bao-Xiang
- Publisher
- International Union of Crystallography
- Year
- 2007
- Tongue
- English
- Weight
- 86 KB
- Volume
- 63
- Category
- Article
- ISSN
- 1600-5368
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📜 SIMILAR VOLUMES
The non-H atoms of the title molecule, C~13~H~14~N~2~O~3~, are approximately coplanar. The molecules are linked into a two-dimensional network parallel to the __bc__ plane by intermolecular N—H...O, C—H...O and C—H...π interactions.
Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.004 A Ê R factor = 0.053 wR factor = 0.159 Data-to-parameter ratio = 12.4 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.003 A Ê R factor = 0.043 wR factor = 0.109 Data-to-parameter ratio = 13.7 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
Single-crystal X-ray study T = 298 K Mean '(C±C) = 0.002 A Ê Disorder in main residue R factor = 0.038 wR factor = 0.124 Data-to-parameter ratio = 11.0 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
In the essentially planar molecule of the title compound, C 9 H 8 N 2 O 2 S, the dihedral angle between the benzene and thiadiaole rings is 0.44 (7) . In the crystal structure, molecules are stabilized byinteractions and van der Waals forces.