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2-[(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)methyl-idene]indan-1,3-dione.

ABSTRACT: In the title compound, C(21)H(16)N(2)O(2), the five-membered heterocyclic ring makes a dihedral angle of 47.06?(6)° with the attached benzene ring, whereas the indan-1,3-dione ring system and the benzene ring are oriented at a dihedral angle of 21.92?(7)°. In the crystal, inversion dimers linked by pairs of C-H?O hydrogen bonds generate R(2) (2)(22) loops. Aromatic ?-? stacking inter-actions [centroid-centroid distances = 3.8325?(12)-3.8600?(12)?Å] also occur.

SUBMITTER: Asiri AM

PROVIDER: S-EPMC3239055 | biostudies-literature | 2011 Dec

REPOSITORIES: biostudies-literature

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2-[(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)methyl-idene]indan-1,3-dione.

Asiri Abdullah M AM Al-Youbi Abdulrahman O AO Khan Salman A SA Tahir M Nawaz MN

Acta crystallographica. Section E, Structure reports online 20111125 Pt 12

In the title compound, C(21)H(16)N(2)O(2), the five-membered heterocyclic ring makes a dihedral angle of 47.06 (6)° with the attached benzene ring, whereas the indan-1,3-dione ring system and the benzene ring are oriented at a dihedral angle of 21.92 (7)°. In the crystal, inversion dimers linked by pairs of C-H⋯O hydrogen bonds generate R(2) (2)(22) loops. Aromatic π-π stacking inter-actions [centroid-centroid distances = 3.8325 (12)-3.8600 (12) Å] also occur. ...[more]

PMID: 22199903

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