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Crystal structure of (4Z)-4-[(di-methyl-amino)-methyl-idene]-3,5-dioxo-2-phenyl-pyrazolidine-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) intra-molecular C-H?O contact is seen. In the crystal, mol-ecules are linked by C-H?O bonds, generating [010] chains. Extremely weak C-H?? inter-actions are also observed.

SUBMITTER: Mague JT

PROVIDER: S-EPMC4518909 | biostudies-other | 2015 Jul

REPOSITORIES: biostudies-other

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Crystal structure of (4Z)-4-[(di-methyl-amino)-methyl-idene]-3,5-dioxo-2-phenyl-pyrazolidine-1-carbaldehyde.

Mague Joel T JT Mohamed Shaaban K SK Akkurt Mehmet M Ahmed Eman A EA Khodairy Ahmed A

Acta crystallographica. Section E, Crystallographic communications 20150603 Pt 7

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) intra-molecular C-H⋯O contact is seen. In the crystal, mol-ecules are linked by C-H⋯O bonds, generating [010] cha ...[more]

PMID: 26279896

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