Crystal structure of (1Z)-1-(4-chlorobenzylidene)-5-(4-methoxyphenyl)-3-oxopyrazolidin-1-ium-2-ide

Crystal structure of (1Z)-1-(4-chlorobenzylidene)-5-(4-methoxyphenyl)-3-oxopyrazolidin-1-ium-2-ide

The title molecule, C17H15ClN2O2, is L-shaped with the 4-chlorobenzylidene ring almost coplanar with the planar pyrazolidine ring (r.m.s. deviation = 0.020 Å), making a dihedral angle of 4.83 (17)°. The 4-methoxyphenyl ring is almost normal to the mean plane of the pyrazolidine ring and the 4-chloro...

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Bibliographic Details
Main Authors: Peter Mangwala Kimpende, Thi Kieu Oanh Doan, Quoc Trung Vu, Luc Van Meervelt
Format: Article
Language:English
Published: International Union of Crystallography 2014-08-01
Series:Acta Crystallographica Section E
Subjects:
crystal structure
pyrazolidinium ylide
betaine structure
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600536814014445
Description
Summary:The title molecule, C17H15ClN2O2, is L-shaped with the 4-chlorobenzylidene ring almost coplanar with the planar pyrazolidine ring (r.m.s. deviation = 0.020 Å), making a dihedral angle of 4.83 (17)°. The 4-methoxyphenyl ring is almost normal to the mean plane of the pyrazolidine ring and the 4-chlorobenzylidene ring, with dihedral angles of 87.36 (17) and 89.23 (16)°, respectively. The pyrazolidine ring occurs in the betaine form with a Z configuration for the exocyclic C=N bond. In the crystal, C—H...O and C—H...π interactions generate ribbons of molecules along [1-10].
ISSN:1600-5368

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