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1-(Benzotriazol-1-yl­methyl)-5-(4-di­methyl­amino­phenyl)-3-phenyl-4,5-di­hydro-1H-pyrazole

✍ Scribed by Low, John Nicolson ;Cobo, Justo ;Arroyabe, Frank ;Torres, Harlen ;Abonia, Rodrigo ;Nogueras, Manuel

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

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In the title compound, C 28 H 27 N 3 O 3 , the pyrazolone ring and the N atom of the 2-amino-3-phenylpropanoate group are essentially coplanar. The compound is in an enamine-keto form and its structure is stabilized by one strong intramolecular N-HÁ Á ÁO hydrogen bond.

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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.

N-[(3-Methyl-5-oxo-1-phenyl-4,5-di­hydro
N-[(3-Methyl-5-oxo-1-phenyl-4,5-di­hydro-1H-pyrazol-4-yl­idene)(phenyl)­methyl]­glycine ethyl ester
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Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.004 A Ê R factor = 0.050 wR factor = 0.131 Data-to-parameter ratio = 12.4 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.