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Topochemistry. Part XXXII. The Crystal Structures of 9‐Methyl‐, 9‐Methoxycarbonyl‐, and 9‐Methoxyanthracene
Author(s) -
Bart J. C. J.,
Schmidt G. M. J.
Publication year - 1971
Publication title -
israel journal of chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.908
H-Index - 54
eISSN - 1869-5868
pISSN - 0021-2148
DOI - 10.1002/ijch.197100060
Subject(s) - chemistry , antiparallel (mathematics) , molecule , inversion (geology) , crystal (programming language) , crystallography , crystal structure , nearest neighbour , stereochemistry , combinatorics , organic chemistry , quantum mechanics , physics , artificial intelligence , paleontology , structural basin , magnetic field , computer science , biology , programming language , mathematics
Abstract The crystal structures of 9‐methyl‐, 9‐methoxycarbonyl‐, and 9‐methoxyanthracene have been solved by the SEARCH procedure and refined from partial three‐dimensional photographic data to acceptable agreement factors. The molecular shapes are briefly discussed. The packing arrangements of the first two compounds provide for antiparallel juxtaposition across inversion centres of nearest‐neighbour molecules (interplanar distances of 3.57 and 3.39 Å) and C(9) … C(10′) contacts of 3.87 and 3.68 Å. In the non‐centrosymmetric packing of 9‐methoxyanthracene the distances between meso ‐carbons of nearest‐neighbour molecules are greater than 4.5 Å.