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

S N Sheshadri; Zeliha Atioğlu; Mehmet Akkurt; C S Chidan Kumar; Ching Kheng Quah; B P Siddaraju; M K Veeraiah

doi:10.1107/S205698901800837X

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

Acta Crystallogr E Crystallogr Commun. 2018 Jun 8;74(Pt 7):935-938. doi: 10.1107/S205698901800837X. eCollection 2018 Jul 1.

Authors

S N Sheshadri¹, Zeliha Atioğlu², Mehmet Akkurt³, C S Chidan Kumar⁴, Ching Kheng Quah⁵, B P Siddaraju⁶, M K Veeraiah⁷

Affiliations

¹ Department of Chemistry, GSSS Institute of Engineering & Technology for Women, Mysuru 570 016, Karnataka, India.
² İlke Education and Health Foundation, Cappadocia University, Cappadocia Vocational College, The Medical Imaging Techniques Program, 50420 Mustafapaşa, Ürgüp, Nevşehir, Turkey.
³ Department of Physics, Faculty of Sciences, Erciyes University, 38039 Kayseri, Turkey.
⁴ Department of Engineering Chemistry, Vidya Vikas Institute of Engineering & Technology, Visvesvaraya Technological University, Alanahalli, Mysuru 570 028, Karnataka, India.
⁵ X-ray Crystallography Unit, School of Physics, Universiti Sains Malaysia, 11800 USM, Penang, Malaysia.
⁶ Department of Chemistry, Cauvery Institute of Technology, Mandya 571 402, Karnataka, India.
⁷ Department of Chemistry, Sri Siddhartha Institute of Technology, Tumkur 572 105, Karnataka, India.

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.

Keywords: 3,4-dimethoxyphenyl ring; 3-chlorophenyl ring; Hirshfeld surface analysis; crystal structure; hydrogen contacts; ring motif.