Crystal structure of (4Z)-4-[(dimethylamino)methylidene]-3,5-dioxo-2-phenyl-pyrazolidine-1-carbaldehyde

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Mague J. T., Mohamed S. K., AKKURT M., Ahmed E. A., Khodairy A.

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, vol.71, 2015 (ESCI)

• Publication Type: Article / Article
• Volume: 71
• Publication Date: 2015
• Doi Number: 10.1107/s2056989015010038
• Journal Name: ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
• Journal Indexes: Emerging Sources Citation Index (ESCI), Scopus
• Erciyes University Affiliated: Yes

Abstract

In the title compound, C13H13N3O3, the pyrazolidine ring adopts a shallow envelope conformation, with the carbonyl C atom closest to the benzene ring as the flap [deviation of 0.126 (1) angstrom from the plane through the remaining atoms (r.m.s. deviation = 0.011 angstrom)]. The dihedral angle between the pyrazolidine ring (all atoms) and the benzene ring is 51.09 (4)degrees. An extremely short (2.08 angstrom) intramolecular CH center dot center dot center dot O contact is seen. In the crystal, molecules are linked by C-H center dot center dot center dot O bonds, generating [010] chains. Extremely weak C-H center dot center dot center dot pi interactions are also observed.