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Crystal structure and Hirshfeld surface analysis of (2E)-3-(3-chloro-phen-yl)-1-(3,4-di-meth-oxy-phen-yl)prop-2-en-1-one.

ABSTRACT: In title compound, C₁₇H₁₅ClO₃, the dihedral angle between the benzene and chloro-phenyl rings is 18.46?(7)°. In the crystal, mol-ecules are linked by C-H?O hydrogen contacts, enclosing an R²₂(14) ring motif, and by a further C-H?O hydrogen contact, forming a two-dimensional supra-molecular structure extending along the direction parallel to the ac plane. Hirshfeld surface analysis shows that van der Waals inter-actions constitute the major contribution to the inter-molecular inter-actions, with H?H contacts accounting for 36.2% of the surface.

SUBMITTER: Sheshadri SN

PROVIDER: S-EPMC6038638 | biostudies-literature | 2018 Jul

REPOSITORIES: biostudies-literature

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Crystal structure and Hirshfeld surface analysis of (2E)-3-(3-chloro-phen-yl)-1-(3,4-di-meth-oxy-phen-yl)prop-2-en-1-one.

Sheshadri S N SN Atioğlu Zeliha Z Akkurt Mehmet M Chidan Kumar C S CS Quah Ching Kheng CK Siddaraju B P BP Veeraiah M K MK

Acta crystallographica. Section E, Crystallographic communications 20180608 Pt 7

In title compound, C17H15ClO3, the dihedral angle between the benzene and chloro-phenyl rings is 18.46 (7)°. In the crystal, mol-ecules are linked by C-H⋯O hydrogen contacts, enclosing an R22(14) ring motif, and by a further C-H⋯O hydrogen contact, forming a two-dimensional supra-molecular structure extending along the direction parallel to the ac plane. Hirshfeld surface analysis shows that van der Waals inter-actions constitu ...[more]

PMID: 30002889

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