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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.

ABSTRACT: The title compound, C18H14Cl2O4, adopts a Z conformation around the cental C=C bond. The two aromatic rings of the mol-ecule are nearly perpendicular to each other, with a dihedral angle between of 86.22?(14)°. The meth-oxy substituents lie close to the plane of the attached benzene rings. The C(ar)-C(ar)-O-C(Me) torsion angles are -2.4?(7) and 7.5?(6)°. Weak C-H?O inter-actions link the mol-ecules forming a three-dimensional network. The crystal packing also displays short [3.160?(3)?Å] Cl?O halogen-bonding contacts between mol-ecules related by the screw axis. The structure exhibits disorder of one carbonyl O atom with a refined occupancy ratio of 0.21?(6):0.79?(6).

SUBMITTER: Tittal RK

PROVIDER: S-EPMC4186131 | biostudies-literature | 2014 Sep

REPOSITORIES: biostudies-literature

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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.

Tittal Ram K RK Kumar Satish S Ram R N RN

Acta crystallographica. Section E, Structure reports online 20140823 Pt 9

The title compound, C18H14Cl2O4, adopts a Z conformation around the cental C=C bond. The two aromatic rings of the mol-ecule are nearly perpendicular to each other, with a dihedral angle between of 86.22 (14)°. The meth-oxy substituents lie close to the plane of the attached benzene rings. The C(ar)-C(ar)-O-C(Me) torsion angles are -2.4 (7) and 7.5 (6)°. Weak C-H⋯O inter-actions link the mol-ecules forming a three-dimensional network. The crystal packing also displays short [3.160 (3) Å] Cl⋯O ha ...[more]

PMID: 25309219

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