5-Ethyl-4-phenyl-1H-pyrazol-3(2H)-one.

Acta Crystallogr Sect E Struct Rep Online

Published: January 2011

The asymmetric unit of the title compound, C(11)H(12)N(2)O, consists of two crystallographically independent mol-ecules (A and B) with similar geometries. Both mol-ecules exist in a keto form, the C=O bond length being 1.286 (2) Å in A and 1.283 (2) Å in B. The dihedral angles between the pyrazole ring and the attached phenyl ring are 43.28 (12) and 46.88 (11)°, respectively, for A and B. The ethyl unit in mol-ecule B is disordered over two positions with a site-occupancy ratio of 0.508 (5):0.492 (5). In the crystal, each of the independent mol-ecules forms a centrosymmetric dimer with an R(2) (2)(8) ring motif through a pair of N-H⋯O hydrogen bonds. These dimers are further connected into a three-dimensional network by inter-molecular N-H⋯O and C-H⋯O hydrogen bonds. Inter-molecular C-H⋯π inter-actions are also present.

Download full-text PDF

Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3051742PMC
http://dx.doi.org/10.1107/S1600536811001589DOI Listing

Publication Analysis

Top Keywords

independent mol-ecules
8
hydrogen bonds
8
5-ethyl-4-phenyl-1h-pyrazol-32h-one asymmetric
4
asymmetric unit
4
unit title
4
title compound
4
compound c11h12n2o
4
c11h12n2o consists
4
consists crystallographically
4
crystallographically independent
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!