Quantitative investigation of intermolecular interactions in dimorphs of 3-Chloro-N-(2-fluorophenyl) benzamide and 2-Iodo-N-(4-bromophenyl) benzamide

Reddy, M Kishore and Row, Tayur N Guru (2018) Quantitative investigation of intermolecular interactions in dimorphs of 3-Chloro-N-(2-fluorophenyl) benzamide and 2-Iodo-N-(4-bromophenyl) benzamide. In: JOURNAL OF CHEMICAL SCIENCES, 130 (4).

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Abstract

In this study, we have analyzed the role of different intermolecular interactions in the polymorphic modifications of 3-chloro-N-(2-fluorophenyl)benzamide (1) and 2-iodo-N-(4-bromophenyl)benzamide (II). The crystals were obtained via slow evaporation method with the alteration of solvents for crystallization. The already reported form Cryst. Growth Des. (2011) 11:1578] crystallizes in P2(1)/c with Z'=2 Form IA], while the new form crystallizes in Pna2(1) with Z=1 Form IB]. The latter compound crystallizes in P2(1)/n with Z'=1 Form HA] and in Pbca with Z(1)=1 Form IIB], Weak Cl,...Cl and C-H...F interactions in the former (IA, IB) and weak I...I and C-H...pi interactions in the latter (IIA, IIB) play a vital role in the formation of different polymorphic modifications leading to the observation of conformational and packing polymorphs, respectively. PIXEL calculations show that most of the interactions present in the crystal structures are dispersive in nature. 2D Fingerprint plots revealed that the relative contribution of different intermolecular interactions in different polymorphic forms was different.

Item Type:	Journal Article
Publication:	JOURNAL OF CHEMICAL SCIENCES
Publisher:	INDIAN ACAD SCIENCES, C V RAMAN AVENUE, SADASHIVANAGAR, P B #8005, BANGALORE 560 080, INDIA
Additional Information:	Copy right for this article belong to INDIAN ACAD SCIENCES, C V RAMAN AVENUE, SADASHIVANAGAR, P B #8005, BANGALORE 560 080, INDIA
Department/Centre:	Division of Chemical Sciences > Solid State & Structural Chemistry Unit
Date Deposited:	04 May 2018 18:47
Last Modified:	04 May 2018 18:47
URI:	http://eprints.iisc.ac.in/id/eprint/59745

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