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The crystal and molecular structure of an asymmetric diacetylene monomer, 6-(2-methyl-4-nitroanilino)-2,4-hexadiyn-1-ol

✍ Scribed by Marcus Vlasse; Mark S. Paley

Publisher
John Wiley and Sons
Year
1994
Tongue
English
Weight
355 KB
Volume
195
Category
Article
ISSN
1022-1352

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✦ Synopsis

Abstract

The crystal and molecular structure of an asymmetric diacetylene monomer has been determined from x‐ray diffraction data. The crystals, obtained from an acetone/pentane solution, are orthorhombic, Fdd2 with Z = 16 in a unit cell having dimensions of a = 42,815(6) Γ…, b = 22,224(5) Γ…, c = 4,996(1) Γ…. The structure was solved by direct methods and refined by leastsquares techniques to an R~F~ of 6,4% for 988 reflections and 171 variables. The diacetylene chains are disposed in the unit cell in a complex manner in order to satisfy the hydrogen‐bonding, crystal packing, and symmetry requirements of the system. The solid state polymerization mechanism is discussed with respect to the geometric disposition of the diacetylene chains. These chains are far apart and incorrectly oriented with respect to each other to permit polymerization in the crystal by means of 1,4‐addition, consistent with the Baughman mechanistic model.

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