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Crystal structure of bis(2-butyl-4-chloro-imidazole)5-iminoethane
Authors:H.S.?Yathirajan,C.R.?Raju,K.M.?Lokanatha?Rai,K.?Jailakshmi,P.?Nagaraja,K.?Palani,M.N.?Ponnuswamy  author-information"  >  author-information__contact u-icon-before"  >  mailto:mnpsv@hotmail.com"   title="  mnpsv@hotmail.com"   itemprop="  email"   data-track="  click"   data-track-action="  Email author"   data-track-label="  "  >Email author,M.?Nethaji
Affiliation:(1) Department of Studies in Chemistry, University of Mysore, Manasagangotri, Mysore, 570 006, India;(2) Department of Crystallography and Biophysics, University of Madras, Guindy Campus, Chennai, 600 025, India;(3) Department of Inorganic and Physical Chemistry, Indian Institute of Science, Bangalore, 560 012, India
Abstract:The title compound (C18H26N6Cl2) crystallizes in monoclinic space group P21/c with a = 14.867(4) Å}, b = 7.758(2) Å}, c = 9.671(3) Å}, beta = 108.78(1)compfn, V = 1056.0(5) Å}3, Z = 2, Dcal = 1.250 Mg/m3 at T = 293 K. The structure was solved by direct methods and refined by full-matrix least-squares procedures to final R = 0.0650 and wR = 0.1719 using 2493 reflections. The imidazole ring is planar and the n-butyl chain adopts an extended conformation. The molecules in the crystal are stabilized by N–H sdots N type of intermolecular hydrogen bondings in addition to van der Waals forces.
Keywords:Imidazole  crystal structure  conformation  hydrogen bonding
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