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

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) Å from the plane through the remaining atoms (r.m.s. deviation = 0.011 Å)]. The dihedral angle between the pyrazolidine ring (all atoms) and the benzene ring is 51.09 (4)°. An extremely short (2.08 Å) intramolecular C—H...O contact is seen. In the crystal, molecules are linked by C—H...O bonds, generating [010] chains. Extremely weak C—H...π interactions are also observed.

Keywords

• crystal structure
• pyrazolones
• short intramolecular C—H...O contact
• C—H...O hydrogen bonds
• C—H...π interactions