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3-tert-Butyl-5-[(4-methoxy­benzyl­idene)­amino]-1-phenyl­pyrazole

✍ Scribed by Low, John Nicolson ;Cobo, Justo ;Nogueras, Manuel ;Sánchez, Adolfo ;Rengifo, Emerson ;Abonia, Rodrigo

Publisher
International Union of Crystallography
Year
2003
Tongue
English
Weight
325 KB
Volume
59
Category
Article
ISSN
1600-5368

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✦ Synopsis

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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The crystal structure of the title compound, C 19 H 19 N 3 O 2 , shows the molecule to be essentially planar with the exception of the terminal phenyl group. Molecules are associated via intermolecular C-HÁ Á ÁO hydrogen bonds.

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In the crystal structure of the title compound, C 19 H 19 N 3 O 3 , the benzene ring substituted by hydroxy and methoxy groups is essentially coplanar with the pyrazoline ring [dihedral angle = 12.9 (2) ], whereas the phenyl ring bonded directly to the pyrazoline ring forms a dihedral angle of 50.4

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Single-crystal X-ray study T = 100 K Mean '(C±C) = 0.003 A Ê R factor = 0.061 wR factor = 0.150 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.