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Simple Chains in Methyl 3,5-dinitrobenzoate, Isolated Molecules in Isopropyl 3,5-dinitrobenzoate, and a Three-Dimensional Framework Containing Double and Sextuple Helices in Benzyl 3,5-dinitrobenzoate, All at 120 K

Simple Chains in Methyl 3,5-dinitrobenzoate, Isolated Molecules in Isopropyl 3,5-dinitrobenzoate, and a Three-Dimensional Framework Containing Double and Sextuple Helices in Benzyl 3,5-dinitrobenzoate, All at 120 K

Thatyana R A Vasconcelos, Marcus V N de Souza, Solange M S V Wardell, James L Wardell, John N Low, Christopher Glidewell

Acta Crystallogr C. 2006 Jan;62(Pt 1):o26-9.

PMID: 16397336

Abstract:

Molecules of methyl 3,5-dinitrobenzoate, C8H6N2O6, are linked into C7 chains by a single nearly linear C-H...O hydrogen bond, but there are no direction-specific interactions in the structure of isopropyl 3,5-dinitrobenzoate, C10H10N2O6. In benzyl 3,5-dinitrobenzoate, C14H10N2O6, the molecules are linked by four independent C-H...O hydrogen bonds into a complex three-dimensional framework structure, in which it is possible to identify simple substructures in the form of cyclic centrosymmetric dimers, double helices and sextuple helices.

Chemicals Related in the Paper:

Catalog Number	Product Name	Structure	CAS Number	Price
AP2702581	Methyl 3,5-dinitrobenzoate		2702-58-1	Price

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