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Ethyl 5-(3,5-di­methyl-1H-pyrazol-1-yl­sulfonyl)-1-methyl-1H-pyrazole-4-carboxyl­ate

✍ Scribed by Zou, Xiao-Mao ;Shi, Huan-Le ;Yu, Li-Min ;Yang, Hua-Zheng ;Pei, Jiang ;Liu, Pei

Publisher
International Union of Crystallography
Year
2004
Tongue
English
Weight
151 KB
Volume
60
Category
Article
ISSN
1600-5368

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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.

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In the crystal structure of the title compound, C 8 H 12 N 2 O 2 S, the molecules are linked into centrosymmetric dimers by a pair of strong O-HÁ Á ÁO hydrogen bonds. Intermolecular SÁ Á ÁS contacts between adjacent dimers generate a sheet-like structure running parallel to the (211) plane.

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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.

3-[(3-Ethyl-1-methyl-4-nitro-1H-pyrazol-
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In the title compound, C~14~H~13~N~5~O~3~, the dihedral angle formed between the five-membered pyrazole and the benzimidazole ring system is 68.2 (2)°.