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Crystal and molecular structure studies of tris(2-hydroxy-3-t-butyl-5-methylbenzene)-methane trihydrate and N-benzyl-N-phenyl benzamide
Authors:K S Rangappa  H Mallesha  N V Anilkumar  H S Yathirajan  M A Sridhar  N K Lokanath  J Shashidhara Prasad
Institution:(1) Department of Studies in Chemistry, Department of Studies in Physics, University of Mysore, Manasagangotri, Mysore, 570006, India
Abstract:The structures of the title compounds, tris(2-hydroxy-3-t-butyl-5-methylbenzene)-methane)C34H46O3.3H2O, 3) and N-benzyl-N-phenylbenzamide (C20H17NO, 6), have been investigated by X-ray crystallography. Compound 3 crystallizes in the trigonal space group 
$$P\bar 3 $$
with cell parameters a = 14.090(5) Å, b = 14.090(5)Å, c = 10.485(5)Å, Z = 2. Compound 6 crystallizes in the monoclinic space group C2/c with cell parameters a = 24.533(4)Å, b = 9.176(4)Å, c = 16.711(5)Å, beta = 125.88(2)°, Z = 8. Compound 3 has both intra-and intermolecular hydrogen bonds. It also exhibits a helical columnar arrangement of the molecules and goes into mesophase before melting into an isotropic liquid.
Keywords:THBMBM  BPB  crystal structure  helical packing  columnar packing  mesophase transition
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