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Crystal structure of (E)-1-(4-tert-butyl-phen-yl)-2-(4-iodo-phen-yl)ethene.

ABSTRACT: The title compound, C18H19I, crystallized with two independent mol-ecules (A and B) in the asymmetric unit. Both mol-ecules have an E conformation about the bridging C=C bond. They differ in the orientation of the two benzene rings; the dihedral angle being 12.3?(5)° in mol-ecule A, but only 1.0?(6)° in mol-ecule B. In the crystal, the individual mol-ecules are linked by C-I?? inter-actions forming zigzag A and zigzag B chains propagating along [001]. The structure was refined as an inversion twin [Flack parameter = 0.48?(2)].

SUBMITTER: Chen Z

PROVIDER: S-EPMC4420064 | biostudies-literature | 2015 May

REPOSITORIES: biostudies-literature

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Crystal structure of (E)-1-(4-tert-butyl-phen-yl)-2-(4-iodo-phen-yl)ethene.

Chen Zhiwei Z Moxey Graeme J GJ

Acta crystallographica. Section E, Crystallographic communications 20150415 Pt 5

The title compound, C18H19I, crystallized with two independent mol-ecules (A and B) in the asymmetric unit. Both mol-ecules have an E conformation about the bridging C=C bond. They differ in the orientation of the two benzene rings; the dihedral angle being 12.3 (5)° in mol-ecule A, but only 1.0 (6)° in mol-ecule B. In the crystal, the individual mol-ecules are linked by C-I⋯π inter-actions forming zigzag A and zigzag B chains propagating along [001]. The structure was refined as an inversion tw ...[more]

PMID: 25995920

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