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Crystal structure of (4E)-4-(8-meth-oxy-2H-chromen-2-yl-idene)-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one.

ABSTRACT: In the title compound, C20H16N2O3, the phenyl substituent attached to the pyrazole ring makes a dihedral angle of 4.87?(7)° with the rest of the mol-ecule. In the crystal, mol-ecules are connected into inversion dimers of the R 2 (2)(14) type by pairs of C-H?O inter-actions. ?-? inter-actions exist between the benzene and pyrazole rings at a distance of 3.701?(1)?Å. Similarly, ?-? inter-actions are present at a centroid-centroid distance of 3.601?(1)?Å between the oxygen-containing heterocyclic ring and meth-oxy substituted aromatic ring of a neighbouring mol-ecule. Additional C-H?? and C=O?? inter-actions are also observed.

SUBMITTER: Salim M

PROVIDER: S-EPMC4459315 | biostudies-literature | 2015 Jun

REPOSITORIES: biostudies-literature

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Crystal structure of (4E)-4-(8-meth-oxy-2H-chromen-2-yl-idene)-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one.

Salim Muhammad M Munawar Munawar Ali MA Tahir Muhammad Nawaz MN Shahid Muhammad M Malik Khizar Iqbal KI

Acta crystallographica. Section E, Crystallographic communications 20150523 Pt 6

In the title compound, C20H16N2O3, the phenyl substituent attached to the pyrazole ring makes a dihedral angle of 4.87 (7)° with the rest of the mol-ecule. In the crystal, mol-ecules are connected into inversion dimers of the R 2 (2)(14) type by pairs of C-H⋯O inter-actions. π-π inter-actions exist between the benzene and pyrazole rings at a distance of 3.701 (1) Å. Similarly, π-π inter-actions are present at a centroid-centroid distance of 3.601 (1) Å between the oxygen-containing heterocyclic ...[more]

PMID: 26090198

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