Synthesis and Crystal Structure of 6-Bromo-2-(furan-2-yl)-3-(prop-2-ynyl)-3H-imidazo[4, 5-b]pyridine. (29th August 2013)

• Record Type: Journal Article
• Authors: Kandri Rodi, Youssef; Luis, Santiago V.; Martí, Inés; Martí-Centelles, Vicente; Ouzidan, Younès
• Other Names: Rath Nigam P. Academic Editor.
• Is Part Of: Journal of chemistry. Volume 2013(2013)
• Publication Date: 2013-08-29
• Subjects: Chemistry -- Periodicals; 540.5
• DOI: 10.1155/2013/410304
• Languages: English
• ISSNs: 2090-9063

Abstract

Abstract : The crystal and molecular structure of 6-bromo-2-(furan-2-yl)-3-(prop-2-ynyl)-3H-imidazo[4, 5-b]pyridine (C13 H8 BrN3 O) has been investigated from single crystal X-ray diffraction data. The primary focus is to investigate the molecular geometry of this compound in the solid state along with the associated intermolecular hydrogen bonding and related π - π interactions present in the crystal packing. This compound crystallizes in the monoclinic space group P 2 1 / n with cell parameters: a = 4.39655(19) Å, b = 13.5720(5) Å, c = 20.0471(5) Å, β = 94.753(3), V = 1192.10(7) Å 3, D = 1.683 g·cm −3, and Z = 4. The crystal structure is stabilized by π - π interactions and intermolecular C–H ⋯ N and C–H ⋯ O interactions.