Ethyl 1-tert-butyl-5-phenyl-1H-pyrazole-4-carboxylate

Fun, Hoong-Kun and Quah, Ching Kheng and Chandrakantha , B and Isloor, Arun M and Shetty, Prakash (2010) Ethyl 1-tert-butyl-5-phenyl-1H-pyrazole-4-carboxylate. Acta Crystallographica Section E, 66 (9). p. 2228. ISSN 1600-5368

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In the title compound, C16H20N2O2, the pyrazole ring is essentially planar [maximum deviation = 0.008 (2) A ° ] and is inclined at an angle of 82.82 (10)' with respect to the phenyl ring. The crystal packing is consolidated by pairs of intermolecular C—H...O hydrogen bonds, which link the molecules into centrosymmetric dimers stacked along the a axis.

Item Type: Article
Additional Information: © International Union of Crystallography
Uncontrolled Keywords: single-crystal X-ray study; T = 100 K; mean (C–C) = 0.003 A° ;R factor = 0.042; wR factor = 0.099; data-to-parameter ratio = 14.4.
Subjects: Engineering > MIT Manipal > Chemistry
Engineering > MIT Manipal > Printing and Media
Depositing User: MIT Library
Date Deposited: 10 Jan 2012 10:40
Last Modified: 10 Jan 2012 10:40

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