3-Amino-1-phenyl-1H-pyrazole
✍ Scribed by Marek, Jaromír ;Trávníček, Zdeněk ;Cankař, Petr
- Publisher
- International Union of Crystallography
- Year
- 2006
- Tongue
- English
- Weight
- 275 KB
- Volume
- 62
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
Single-crystal X-ray study T = 105 K Mean (C-C) = 0.004 A R factor = 0.051 wR factor = 0.097 Data-to-parameter ratio = 9.3 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
📜 SIMILAR VOLUMES
Molecules of the title compound, C 24 H 21 BrN 2 , are linked into chains by a single CÐHÁ Á Á%(arene) hydrogen bond, but CÐ HÁ Á ÁN hydrogen bonds and aromatic %±% stacking interactions are absent.
Single-crystal X-ray study T = 291 K Mean '(C±C) = 0.004 A Ê R factor = 0.053 wR factor = 0.138 Data-to-parameter ratio = 14.7 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
The title compound, C~11~H~10~N~2~O~2~, was prepared by the esterfication of 5-phenyl-1__H__-pyrazole-3-carboxylic acid with methanol. The phenyl ring is rotated out of the pyrazole plane, forming a dihedral angle of 6.4 (1)°. The crystal structure is stabilized by intermolecular aromatic π–π intera
Single-crystal X-ray study T = 298 K Mean '(C±C) = 0.005 A Ê R factor = 0.049 wR factor = 0.135 Data-to-parameter ratio = 13.3 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.