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Methyl 5-phenyl-1H-pyrazole-3-carboxylate

✍ Scribed by Zhou, Guanghua ;An, Yue ;Han, Jing ;Ge, Maofa ;Xing, Yongheng

Publisher
International Union of Crystallography
Year
2007
Tongue
English
Weight
659 KB
Volume
63
Category
Article
ISSN
1600-5368

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✦ Synopsis

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 interactions [with a centroid–centroid distance of 3.862 (3) Å between the pyrazole ring and the benzene ring of a neighboring molecule], and by three different types of hydrogen bond (N—H...N, N—H...O and C—H...O).

📜 SIMILAR VOLUMES

Ethyl 1-[(6-chloro­pyridin-3-yl)meth­yl]
Ethyl 1-[(6-chloro­pyridin-3-yl)meth­yl]-3-phenyl-1H-pyrazole-5-carboxyl­ate
✍ Xia, Yong ;Ding, Xiao-Ling ;Ge, Yan-Qing ;Liu, Lian-Dong ;Zhao, Bao-Xiang 📂 Article 📅 2006 🏛 International Union of Crystallography 🌐 English ⚖ 107 KB

In the title compound, C 18 H 16 ClN 3 O 2 , the dihedral angles made by the pyrazole ring with the pyridine and phenyl rings are 82.43 (2) and 8.16 (3) , respectively. The crystal packing is stabilized mainly by van der Waals forces.