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

The title mol­ecule, C(17)H(15)ClN(2)O(2), 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...

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Detalles Bibliográficos
Autores principales: Mangwala Kimpende, Peter, Doan, Thi Kieu Oanh, Vu, Quoc Trung, Van Meervelt, Luc
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4158503/
https://www.ncbi.nlm.nih.gov/pubmed/25249861
http://dx.doi.org/10.1107/S1600536814014445
Descripción
Sumario:The title mol­ecule, C(17)H(15)ClN(2)O(2), 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].