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(Z)-2,3-Di-chloro-1,4-bis-(4-chloro-phen-yl)but-2-ene-1,4-dione.

ABSTRACT: The title compound, C16H8Cl4O2, crystallizes with two independent mol-ecules in the asymmetric unit. Both mol-ecules have a Z conformation around the central double bond and they show significantly different C-C-C-O torsion angles between the aromatic ring and the carbonyl group [30.1?(7) and 3.9?(7)° in one molecule and 23.5?(7) and 9.3?(8)° in the other]. The crystal packing shows short halogen Cl?O [3.003?(5) and 3.246?(4)?Å] and Cl?Cl [3.452?(2)?Å] contacts and aromatic C-H?Cl and C-H?O inter-actions link the molecules, resulting in chains propogating along [100]. The crystal structure also features ?-? stacking inter-actions between aromatic units of the two independent mol-ecules, with a centroid-centroid distance of 3.9264?(6)?Å.

SUBMITTER: Tittal RK

PROVIDER: S-EPMC4158494 | biostudies-literature | 2014 Aug

REPOSITORIES: biostudies-literature

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(Z)-2,3-Di-chloro-1,4-bis-(4-chloro-phen-yl)but-2-ene-1,4-dione.

Tittal Ram K RK Kumar Satish S Ram R N RN

Acta crystallographica. Section E, Structure reports online 20140711 Pt 8

The title compound, C16H8Cl4O2, crystallizes with two independent mol-ecules in the asymmetric unit. Both mol-ecules have a Z conformation around the central double bond and they show significantly different C-C-C-O torsion angles between the aromatic ring and the carbonyl group [30.1 (7) and 3.9 (7)° in one molecule and 23.5 (7) and 9.3 (8)° in the other]. The crystal packing shows short halogen Cl⋯O [3.003 (5) and 3.246 (4) Å] and Cl⋯Cl [3.452 (2) Å] contacts and aromatic C-H⋯Cl and C-H⋯O inte ...[more]

PMID: 25249911

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Crystal structure of (Z)-2,3-di-chloro-1,4-bis-(4-meth-oxy-phen-yl)but-2-ene-1,4-dione.

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1,4-Bis(thio-phen-2-yl)butane-1,4-dione.

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