Title: Crystal structure of (1Z)-1-(4-chloro-benzyl-idene)-5-(4-meth-oxy-phen-yl)-3-oxopyrazolidin-1-ium-2-ide
Authors: Mangwala Kimpende, Peter ×
Doan, Thi Kieu Oanh
Vu, Quoc Trung
Van Meervelt, Luc #
Issue Date: Aug-2014
Publisher: International Union of Crystallography
Series Title: Acta Crystallographica E, Structure Reports Online vol:70 issue:Pt 8 pages:84-6
Article number: 10.1107/S1600536814014445
Abstract: The title mol-ecule, C17H15ClN2O2, is L-shaped with the 4-chloro-benzyl-idene 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-meth-oxy-phenyl ring is almost normal to the mean plane of the pyrazolidine ring and the 4-chloro-benzyl-idene 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 inter-actions generate ribbons of mol-ecules along [1-10].
ISSN: 2056-9890
Publication status: published
KU Leuven publication type: IT
Appears in Collections:Biochemistry, Molecular and Structural Biology Section
× corresponding author
# (joint) last author

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