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)
✦ LIBER ✦
5-Cyanomethyl-3-(4-methylphenyl)-1-phenylpyrazole
✍ Scribed by Singh, S. K. ;Kumar, A. ;Vats, A. ;Bisht, K. S. ;Parmar, V. S. ;Errington, W.
- Book ID
- 114512287
- Publisher
- International Union of Crystallography
- Year
- 1995
- Tongue
- English
- Weight
- 314 KB
- Volume
- 51
- Category
- Article
- ISSN
- 0108-2701
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Single-crystal X-ray study T = 120 K Mean '(C±C) = 0.003 A Ê R factor = 0.052 wR factor = 0.135 Data-to-parameter ratio = 16.4 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 title compound, C 22 H 19 FN 2 , the mean plane of the pyrazoline ring forms dihedral angles of 18.52 (10) with the phenyl ring, 71.69 (10) with the fluorophenyl ring and 4.82 (10) with the p-tolyl ring.