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Structure of 4,6-Diacetylresorcinol

Kokila, MK and Nirmala, KA and Shamala, N and Puttaraja, * (1992) Structure of 4,6-Diacetylresorcinol. In: Acta Crystallographica Section C, 48 . pp. 1133-1134.

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Abstract

C10H10O4, M(r) = 194.19, monoclinic, P2(1)/c, a = 7.089 (1), b = 11.361 (1), c = 11.656 (1) angstrom, beta = 100.45 (3)-degrees, V = 922.92 (1) angstrom 3, Z = 4, D(m) = 1.410 (5), D(x) = 1.397 Mg m-3, lambda(Cu K-alpha) = 1.5418 angstrom, mu(Cu K-alpha) = 0.89 mm-1, T = 300 K, F(000) = 408, final R = 0.057 for 1701 observed reflections. The molecule is almost planar, with O(9) and O(12) of the acetyl groups deviating by 0.074 (1) and 0.071 (2) angstrom from the mean plane of the benzene ring. The bond lengths and bond angles of the benzene ring are normal. There are intramolecular hydrogen bonds between O(9) and H(14) and between O(12) and H(13); there are no intermolecular hydrogen bonds. The molecules are packed in layers parallel to the ac plane and are held together essentially by van der Waals interactions.

Item Type: Editorials/Short Communications
Additional Information: Copyright of this article belongs to International Union of Crystallography.
Department/Centre: Division of Physical & Mathematical Sciences > Physics
Date Deposited: 30 May 2011 08:00
Last Modified: 30 May 2011 08:00
URI: http://eprints.iisc.ernet.in/id/eprint/37660

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