1-{(E)-[(2E)-3-(4-Methoxyphenyl)-1-phenylprop-2-en-1-ylidene]amino}-3-phenylurea: crystal structure and Hirshfeld surface analysis

Tan, Ming Yueh and Crouse, Karen A. and Ravoof, Thahira Begum S. A. and Jotani, Mukesh M. and Tiekink, Edward R. T. * (2017) 1-{(E)-[(2E)-3-(4-Methoxyphenyl)-1-phenylprop-2-en-1-ylidene]amino}-3-phenylurea: crystal structure and Hirshfeld surface analysis. Acta Crystallographica Section E Crystallographic Communications, 73 (11). pp. 1607-1611. ISSN 2056-9890

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Official URL: http://dx.doi.org/10.1107/S2056989017014128

Abstract

The title compound, C23H21N3O2, is constructed about an almost planar disubstituted amino­urea residue (r.m.s. deviation = 0.0201 Å), which features an intra­molecular amine-N—H...N(imine) hydrogen bond. In the `all-trans' chain connecting this to the terminal meth­oxy­benzene residue, the conformation about each of the imine and ethyl­ene double bonds is E. In the crystal, amide-N—H...O(carbon­yl) hydrogen bonds connect centrosymmetrically related mol­ecules into dimeric aggregates, which also incorporate ethyl­ene-C—H...O(amide) inter­actions. The dimers are linked by amine–phenyl-C—H...π(imine–phen­yl) and meth­oxy­benzene-C—H...π(amine–phen­yl) inter­actions to generate a three-dimensional network. The importance of C—H...π inter­actions in the mol­ecular packing is reflected in the relatively high contributions made by C...H/H...C contacts to the Hirshfeld surface, i.e. 31.6%.

Item Type: Article
Additional Information: First author is with Department of Physical Science, Faculty of Applied Sciences, Tunku Abdul Rahman University College; 2nd author is with Department of Chemistry, Faculty of Science, Universiti Putra Malaysia and Department of Chemistry, St. Francis Xavier University; 3rd author is with Department of Chemistry, Faculty of Science, Universiti Putra Malaysia; 4th author is with Department of Physics, Bhavan’s Sheth R. A. College of Science, Ahmedabad; 5th author is with Research Centre for Crystalline Materials, School of Science and Technology, Sunway University
Uncontrolled Keywords: crystal structure; urea derivative; hydrogen bonding; Hirshfeld surface analysis.
Subjects: Q Science > QD Chemistry
Divisions: Others > Non Sunway Academics
Sunway University > School of Science and Technology > Research Centre for Crystalline Materials
Depositing User: Ms. Molly Chuah
Related URLs:
Date Deposited: 30 Oct 2017 02:54
Last Modified: 22 Apr 2019 06:09
URI: http://eprints.sunway.edu.my/id/eprint/626

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