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Crystal structure of ethyl 2-[2-(4-methyl-benzo-yl)-5-p-tolyl-1H-imidazol-1-yl]acetate.

作者信息

Prabha E Arockia Jeya Yasmi, Kumar S Suresh, Padala Anil K, Ahmed Qazi Naveed, Athimoolam S

机构信息

Department of Physics, University College of Engineering Nagercoil, Anna University, Nagercoil 629 004, India.

Medicinal Chemistry Division, Indian Institute of Integrative Medicine (IIIM) and Academy of Scientific and Innovative Research (AcSIR-IIIM), Jammu 180 001, India.

出版信息

Acta Crystallogr E Crystallogr Commun. 2016 Feb 17;72(Pt 3):347-9. doi: 10.1107/S2056989016002504. eCollection 2016 Mar 1.

Abstract

In the title compound, C22H22N2O3, the plane of the five-membered ring is oriented at dihedral angles of 45.4 (1) and 52.5 (1)° to the phenyl rings. Furthermore, this ring makes an angle of 85.2 (2)° with the plane of the ethyl acetate substituent. The mol-ecular structure is affected by an intra-molecular C-H⋯O hydrogen bond between an H atom from the p-tolyl group and the carbonyl O atom of the acetate. The methyl group of the ethyl acetate residue is disordered over two sites with equal occupancies. The crystal structure features inter-molecular C-H⋯O and C-H⋯N inter-actions. One of the C-H⋯O hydrogen bonds forms a C(5) chain motif extending along the a axis. In addition, C-H⋯N contacts form inversion dimers with R 2 (2)(12) ring motifs, linking the imidazole ring system to the benzene ring of the p-tolyl substituent.

摘要
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9c91/4778819/622d9f1d21d9/e-72-00347-fig1.jpg

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