Dimethyl 2,2 `-[(4-oxo-2-phenyl-4H-chromene 5,7-diyl)dioxy]diacetate: a more densely packed polymorph

Nallasivam, Angannan and Nethaji, Munirathinam and Vembu, Nagarajan and Jaswant, Buckle and Sulochana, Nagarajan (2009) Dimethyl 2,2 `-[(4-oxo-2-phenyl-4H-chromene 5,7-diyl)dioxy]diacetate: a more densely packed polymorph. In: Acta Crystallographica Section E-Structure Reports Online, 65 (Part 2). O312-O313.

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Abstract

The title molecule, C21H18O8, crystallizes in two crystal polymorphs, see also Nallasivam, Nethaji, Vembu & Jaswant [Acta Cryst. (2009), E65, o314-o315]. The molecules of both polymorphs differ by the conformation of the oxomethylacetate groups. The title molecules are rather planar compared to the molecules of the other polymorph. In the title molecule, one of the oxomethylacetate groups is disordered (occupancies of 0.6058/0.3942). The structures of both polymorphs are stabilized by C-H center dot center dot center dot O and C-H center dot center dot center dot pi interactions. Due to the planarity of the title molecules and similar intermolecular interactions, the title molecules are more densely packed than those of the other polymorph.

Item Type:	Journal Article
Publication:	Acta Crystallographica Section E-Structure Reports Online
Publisher:	International Union of Crystallography
Additional Information:	Copyright of this article belongs to International Union of Crystallography.
Keywords:	single-crystal X-ray study; T = 293 K; mean _(C–C) = 0.003 A°;disorder in main residue; R factor = 0.059; wR factor = 0.118; data-to-parameter ratio = 14.1.
Department/Centre:	Division of Chemical Sciences > Inorganic & Physical Chemistry
Date Deposited:	01 Sep 2009 05:42
Last Modified:	19 Sep 2010 05:28
URI:	http://eprints.iisc.ac.in/id/eprint/19365

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