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Hindawi, Journal of Chemistry, (2013), p. 1-8, 2013

DOI: 10.1155/2013/603579

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Synthesis and Crystal Structure of 1-(4-Nitrobenzyl)-3-allyl-1H-benzo[d]imidazol-2(3H)-one

Journal article published in 2013 by Dounia Belaziz, Youssef Kandri Rodi, Inés Martí Vidal, Santiago Vicente Luis Lafuente, Youssef Kandri Rodi, Inés Martí, Vicente Martí Centelles ORCID
This paper is made freely available by the publisher.
This paper is made freely available by the publisher.

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Abstract

A functionalized benzimidazole, 1-(4-nitrobenzyl)-3-allyl-1H-benzo[d]imidazol-2(3H)-one, has been synthesized, and the crystal structure was determined and analyzed. This compound crystallizes in the monoclinic, space group P2 1 /n (number 14) c with cell parameters, íµí±Ž = 7.12148(8 A, íµí± = 16.12035(17 A, íµí± = 13.04169(17 A, íµí»½ = 93.3043(11), íµí±‰ = 1494.71(3 A 3 , and íµí°· calc = 1.375 g/mm 3 . The solid state geometry is stabilized by intermolecular íµí¼‹–íµí¼‹ interactions along with the van der Waals interactions which contribute to the stability of the crystal packing. Computational calculations have been used to properly understand the main intermolecular interactions present in the crystal.