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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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 |
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| 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 Engineering and Technology [formerly School of Science and Technology until 2020] > Research Centre for Crystalline Materials moved to SMLS wef 2021 |
| Depositing User: | Ms. Molly Chuah |
| Related URLs: | |
| Date Deposited: | 30 Oct 2017 02:54 |
| Last Modified: | 07 Oct 2020 09:28 |
| URI: | http://eprints.sunway.edu.my/id/eprint/626 |
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