Ethyl 2-amino-1-(4-fluoro-phen-yl)-5-oxo-4,5-di-hydro-1-pyrrole-3-carboxyl-ate: crystal structure and Hirshfeld surface analysis.

Acta Crystallogr E Crystallogr Commun

103, X-Ray Lab, Department of Physics, V.V. Nagar, Anand, Gujarat, India.

Published: September 2017

In the title mol-ecule, CHFNO, the central pyrrole ring makes a dihedral angle of 9.2 (3)° with the eth-oxy carbonyl moiety whereas the fluoro-phenyl ring is rotated by 67.6 (2)° from the pyrrole ring. Supra-molecular aggregation is due to off-centric π-π stacking inter-actions involving screw-related pairs of mol-ecules, which are further connected by N-H⋯O and C-H⋯O inter-actions, forming a sinusoidal pattern along the [001] direction on the plane. Three-dimensional Hirshfeld surface analysis and two-dimensional fingerprint plots confirm the contributions of these inter-actions.

Download full-text PDF

Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5588575PMC
http://dx.doi.org/10.1107/S2056989017011628DOI Listing

Publication Analysis

Top Keywords

hirshfeld surface
8
surface analysis
8
pyrrole ring
8
ethyl 2-amino-1-4-fluoro-phen-yl-5-oxo-45-di-hydro-1-pyrrole-3-carboxyl-ate
4
2-amino-1-4-fluoro-phen-yl-5-oxo-45-di-hydro-1-pyrrole-3-carboxyl-ate crystal
4
crystal structure
4
structure hirshfeld
4
analysis title
4
title mol-ecule
4
mol-ecule chfno
4

Similar Publications

Want AI Summaries of new PubMed Abstracts delivered to your In-box?

Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!