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Crystal structure of 2‐(3‐amino‐2,4,4‐tricyano‐buta‐1,3‐dienyl)‐ thiophene
Authors:M. Akkurt  Z. Payze  M. Kepez
Abstract:
The title compound (C11H6N4S) 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; Dx = 1.387(1) g.cm‐3 ; R = 0.073 for 1697 observed reflections [F2 ≥ 2σ(F2)]. 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.
Keywords:2‐(3‐amino‐2  4  4‐tricyano‐buta‐1  3‐dienyl)thiophene  crystal structure
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