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(E)-4-Chloro-2-[(2,3-dimethyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-4-yl)iminomethyl]-6-methoxyphenyl 4-methylbenzenesulfonate acetonitrile solvate

✍ Scribed by Zhen, Xiao-Li ;Tian, Xia ;Li, Zhen-Chao ;Han, Jian-Rong ;Liu, Shou-Xin

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

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✦ Synopsis

In the title compound, C~26~H~24~ClN~3~O~5~S·C~2~H~3~N, the o-vanillin group makes dihedral angles of 25.87 (4), 11.93 (3) and 72.05 (7)° with the pyrazolone, benzene and phenyl rings, respectively. The crystal structure is stabilized by weak intermolecular C—H...O interactions that link molecules into centrosymmetric dimers.

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The title compound, C 19 H 17 N 3 O 3 ÁCH 3 OH, was synthesized by the reaction of 4-amino-1,5-dimethyl-2-phenyl-1,2-dihydropyrazol-3-one and 4-formylbenzoic acid in methanol solution. As expected, the antipyrine derivative adopts a trans configuration about the central C N bond. In the crystal stru

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✍ Shi, Jun 📂 Article 📅 2006 🏛 International Union of Crystallography 🌐 English ⚖ 180 KB

Single-crystal X-ray study T = 294 K Mean (C-C) = 0.006 A Disorder in solvent or counterion R factor = 0.046 wR factor = 0.133 Data-to-parameter ratio = 12.5 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.

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✍ Zhao, Yan-Li ;Zhang, Qiao-Zhen ;Chen, Xin ;Yu, Ming 📂 Article 📅 2006 🏛 International Union of Crystallography 🌐 English ⚖ 153 KB

In the title compound, C 25 H 23 N 3 O 5 S, the vanillin group makes dihedral angles of 1.42 (11), 63.76 (10) and 51.00 (10) , respectively, with the pyrazolone ring, the phenyl ring attached to the sulfonyl group, and the phenyl ring attached to the pyrazolone ring. The crystal packing is governed

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Single-crystal X-ray study T = 294 K Mean (C-C) = 0.003 A R factor = 0.044 wR factor = 0.115 Data-to-parameter ratio = 14.2 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.