Unusual co-crystal of isonicotinamide: the structural landscape in crystal engineering

Tothadi, Srinu and Desiraju, Gautam R (2012) Unusual co-crystal of isonicotinamide: the structural landscape in crystal engineering. In: PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES, 370 (1969, ). pp. 2900-2915.

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Abstract

The idea of a structural landscape is based on the fact that a large number of crystal structures can be associated with a particular organic molecule. Taken together, all these structures constitute the landscape. The landscape includes polymorphs, pseudopolymorphs and solvates. Under certain circumstances, it may also include multicomponent crystals (or co-crystals) that contain the reference molecule as one of the components. Under still other circumstances, the landscape may include the crystal structures of molecules that are closely related to the reference molecule. The idea of a landscape is to facilitate the understanding of the process of crystallization. It includes all minima that can, in principle, be accessed by the molecule in question as it traverses the path from solution to the crystal. Isonicotinamide is a molecule that is known to form many co-crystals. We report here a 2 : 1 co-crystal of this amide with 3,5-dinitrobenzoic acid, wherein an unusual N-H center dot center dot center dot N hydrogen-bonded pattern is observed. This crystal structure offers some hints about the recognition processes between molecules that might be implicated during crystallization. Also included is a review of other recent results that illustrate the concept of the structural landscape.

Item Type:	Journal Article
Publication:	PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES
Publisher:	ROYAL SOC
Additional Information:	Copyright for this article belongs to the Royal Society
Keywords:	crystal engineering; hydrogen bond; crystallization
Department/Centre:	Division of Chemical Sciences > Solid State & Structural Chemistry Unit
Date Deposited:	16 Jul 2012 10:10
Last Modified:	16 Jul 2012 10:11
URI:	http://eprints.iisc.ac.in/id/eprint/44679

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