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5-Amino-1-(5-methyl-1-phenylpyrazol-4-ylcarbonyl)pyrazole-4-carbonitrile

✍ Scribed by Li, Jia-Cheng ;Feng, Yu-Hong ;Lin, Qiang ;Zhang, De-La


Book ID
104491339
Publisher
International Union of Crystallography
Year
2007
Tongue
English
Weight
989 KB
Volume
63
Category
Article
ISSN
1600-5368

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✦ Synopsis


In the molecule of the title compound, C 15 H 12 N 6 O, the central pyrazole ring forms dihedral angles of 25.10 (7) and 40.22 ( 7) with the outer pyrazole and phenyl rings, respectively. In the crystal structure, centrosymmetrically related molecules are linked into dimers by intermolecular N-HÁ Á ÁN hydrogen bonds. The dimers interact along the b axis through intermolecular C-HÁ Á ÁO hydrogen bonds to form chains. There is an intramolecular N-HÁ Á ÁO hydrogen bond.


📜 SIMILAR VOLUMES


N-(5-Chloro-3-methyl-1-phenylpyrazol-4-y
✍ Du, Hai-Tang ;Lu, Ming ;Zhou, Wei-Yi ;Sun, Li-Li 📂 Article 📅 2007 🏛 International Union of Crystallography 🌐 English ⚖ 496 KB

The crystal structure of the title compound, C~19~H~17~ClN~4~OS, has been determined in order to elucidate the molecular conformation. The pyrazole ring makes dihedral angles of 74.3 (3)° and 2.9 (3)° with the phenyl and tolyl rings, respectively; these two six-membered rings are twisted by 71.6 (3)

1-[2,6-Di­chloro-4-(tri­fluoro­methyl)­p
✍ Zhong, Ping ;Yang, Zhiping ;Shi, Qian ;Li, Shuyan ;Tang, Riyuan 📂 Article 📅 2005 🏛 International Union of Crystallography 🌐 English ⚖ 75 KB

Single-crystal X-ray study T = 298 K Mean (C±C) = 0.005 A Ê Disorder in main residue R factor = 0.072 wR factor = 0.215 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.

1-[2,6-Di­chloro-4-(tri­fluoro­methyl)­p
✍ Chen, Dimei ;Yang, Zhiping ;Zhong, Ping ;Hu, Maolin 📂 Article 📅 2005 🏛 International Union of Crystallography 🌐 English ⚖ 60 KB

The title compound, C 20 H 14 Cl 2 F 3 N 5 , is a tricyclic amide with an overall U-shape, each of the the three rings being planar. There areinteractions between the pyrazole ring and the benzene ring with the dimethylamine substituent.

5-Amino-4-chloro-1-[2,6-dichloro-4-(trif
✍ Li, Shu-Yan ;Zhong, Ping ;Hu, Mao-Lin ;Li, Jin-Hai 📂 Article 📅 2006 🏛 International Union of Crystallography 🌐 English ⚖ 209 KB

In the title compound, C~11~H~4~Cl~3~F~3~N~4~, the dihedral angle between the pyrazole and the N-substituted benzene ring planes is 84.5 (2)°. The crystal structure is stabilized by N—H...N hydrogen bonds.