Structure of 4-hydroxymonophenylbutazone

Dhanaraj, V. ; Vijayan, M. (1987) Structure of 4-hydroxymonophenylbutazone Acta Crystallographica Section C, 43 . pp. 311-313. ISSN 0108-2701

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Official URL: http://scripts.iucr.org/cgi-bin/paper?a26828

Related URL: http://dx.doi.org/10.1107/S010827018709601X

Abstract

4-Butyl-4-hydroxy-l-phenyl-3,5-pyrazolidinedione, C13H16N203, Mr = 248.3, monoclinic, P21/n, a = 22.357 (5), b = 5.014 (2), c = 11.350 (4) Å, β = 91.88(3)°, V=1272(1)Å3, Z = 4, Dm = 1.296(3), Dx = 1.297 Mg m-3, λ(Cu Kα) = 1.5418 Å, μ = 0.777 mm-1, F(000) = 528, T = 293 K. Final R = 0.059 for 1668 observed reflections. The hetero nitrogen which carries the six-membered ring is planar in the structure while the other unsubstituted one is pyramidal. The five- and six-membered rings are almost coplanar. The crystal is made up of infinite columns of hydrogen-bonded molecules.

Item Type:Article
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ID Code:74437
Deposited On:14 Dec 2011 04:08
Last Modified:14 Dec 2011 04:08

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