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Ethyl 1-benzyl-3-(4-chloro­phen­yl)-1H-pyrazole-5-carboxyl­ate

✍ Scribed by Xia, Yong ;Dong, Wen-Liang ;Ge, Yang-Qing ;Wei, Fang ;Zhao, Bao-Xiang


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

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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.

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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.

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In the title compound, C 19 H 18 N 2 O 2 , the dihedral angles made by the central pyrazole ring with the benzyl and phenyl rings are 87.00 (9) and 15.23 (9) , respectively. There is a short intermolecular interaction between a C-H bond and the benzyl ring.

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In the title compound, C 13 H 17 N 5 O 2 , the dihedral angle angle between the pyrazole and pyridazine rings is 14.44 (8) . The molecules are linked into a chain along the b axis by C-HÁ Á ÁO hydrogen bonds.