Full text

Turn on search term navigation

© 2019 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/). Notwithstanding the ProQuest Terms and Conditions, you may use this content in accordance with the terms of the License.

Abstract

N-(3-nitrophenyl)cinnamamide 1 with formula C15H12N2O3 was synthesized, and its crystal structure was determined by single-crystal X-ray diffraction analysis. Compound 1 crystallizes in the monoclinic space group P21/n with unit cell dimensions: a = 6.7810 (5) Å, b = 23.0913 (15) Å, c = 8.2079 (5) Å, V = 1282.76 (15) Å3, Z = 4, determined at 150 K with MoKα radiation. The experimental structure refined against atomic scattering factors is compared with the structure obtained using a Hirshfeld Atom Refinement (HAR) approach and Density Functional Theory (DFT) geometry optimizations.

Details

Title
Synthesis, Characterization, and Crystal Structure of N-(3-nitrophenyl)cinnamamide
Author
Jung-Seop, Lee 1 ; Zeller, Matthias 2 ; Warkad, Shrikant Dashrath 1 ; Nimse, Satish Balasaheb 1   VIAFID ORCID Logo 

 Institute of Applied Chemistry and Department of Chemistry, Hallym University, Chuncheon 200-702, Korea; [email protected] (J.-S.L.); [email protected] (S.D.W.) 
 Department of Chemistry, Purdue University, West Lafayette, IN 47907, USA; [email protected] 
First page
599
Publication year
2019
Publication date
2019
Publisher
MDPI AG
e-ISSN
20734352
Source type
Scholarly Journal
Language of publication
English
ProQuest document ID
2535242300
Copyright
© 2019 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/). Notwithstanding the ProQuest Terms and Conditions, you may use this content in accordance with the terms of the License.