Crystal and molecular structure of N-(4-nitrophenyl)-β-alanine—Its vibrational spectra and theoretical calculations

MK Marchewka, M Drozd, J Janczak

Index: Marchewka; Drozd; Janczak Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, 2011 , vol. 79, # 4 p. 758 - 766

Full Text: HTML

Citation Number: 7

Abstract

The N-(4-nitrophenyl)-β-alanine in crystalline form directly by the addition of 4-nitroaniline to the acrylic acid in aqueous solution has been obtained. The title β-alanine derivative crystallizes in the P21/c space group of monoclinic system with four molecules per unit cell. The X-ray geometry of β-alanine derivative molecule has been compared with those obtained by molecular orbital calculations corresponding to the gas phase. In the crystal ...