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Crystal structure of 2‐(3‐amino‐2,4,4‐tricyano‐buta‐1,3‐dienyl)‐ thiophene
Author(s) -
Akkurt M.,
Payze Z.,
Kepez M.
Publication year - 2000
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 - 10.1002/1521-4079(200003)35:3<349::aid-crat349>3.0.co;2-y
Subject(s) - orthorhombic crystal system , crystal structure , thiophene , chemistry , crystallography , molecule , crystal (programming language) , sulfur , stereochemistry , organic chemistry , computer science , programming language
The title compound (C 11 H 6 N 4 S) crystallizes in the orthorhombic space group Pbca with a = 23.561(4) Å, b = 7.064(1) Å, c = 13.018(3) Å, Z = 8; D x = 1.387(1) g.cm ‐3 ; R = 0.073 for 1697 observed reflections [F2 ≥ 2σ(F 2 )]. The interesting feature is disorder in the crystal structure resulting from the existence of two isomeric molecules with interchangable carbon and sulfur positions, occuring at random but with equal probability in the structure.