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The crystal and molecular structure of the Nematogenic Compound 5,8‐Dihydro‐5,8‐methano‐1,4‐naphthalenediyl Bis(4‐ethoxybenzoate)
Author(s) -
Baumeister U.,
Hartung H.,
Jaskólski M.
Publication year - 1984
Publication title -
crystal research and technology
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.377
H-Index - 64
eISSN - 1521-4079
pISSN - 0232-1300
DOI - 10.1002/crat.2170190520
Subject(s) - monoclinic crystal system , molecule , crystallography , crystal structure , chemistry , norbornene , stereochemistry , crystal (programming language) , polymer , organic chemistry , monomer , computer science , programming language
Single crystals of the title compound with the formula (C 2 H 5 OC 6 H 4 COO) 2 C 11 H 8 have been investigated by X‐ray analysis. The compound crystallizes in the monoclinic space group P2 1 /n with a = 8.555(1), b = 15.280(2), c = 19.093(3) Å, β = 94.17(1) 0 , V = 2489.2(5) Å 3 , and Z = 4. The structure was solved by direct methods and refined to a final R value of 0.062 The molecule adopts an almost stretched form. The norbornene skeleton within the central part of the molecule is disordered and occurs in two different conformations. The molecular packing is characterized by different lattice regions: the molecules in one region are parallel but their long axes are inclined by 49.5° to the molecules of the other region.