1,3-Diphenyl-4,5-dihydro-1H-pyrazol-5-one

Thomas Baddeley, Solange M. S. Wardell, Edward Tiekink, James Wardell

Research output: Contribution to journalArticle

3 Citations (Scopus)

Abstract

In the title pyrazolone derivative, C15H12N2O, the five-membered ring is approximately planar (r.m.s. deviation = 0.018 Å), and the N- and C-bound benzene rings are inclined to this plane [dihedral angles = 21.45 (10) and 6.96 (10)°, respectively] and form a dihedral angle of 20.42 (10)° with each other. Supra­molecular layers are formed in the crystal structure via C—H⋯O and C—H⋯N inter­actions, and these are assembled into double layers by C—H⋯π and π–π inter­actions between the pyrazole and C-bound benzene rings [ring centroid–centroid distance = 3.6476 (12) Å]. The double layers stack along the a axis being connected by π–π inter­actions between the N- and C-bound benzene rings [ring centroid–centroid distance = 3.7718 (12) Å]
Original languageEnglish
Pages (from-to)o1016-o1017
Number of pages2
JournalActa Crystallographica Section E: Structure Reports Online
VolumeE68
DOIs
Publication statusPublished - Apr 2012

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Benzene
Dihedral angle
rings
benzene
dihedral angle
Crystal structure
Derivatives
interactions
diphenyl
methylidyne
deviation
crystal structure

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1,3-Diphenyl-4,5-dihydro-1H-pyrazol-5-one. / Baddeley, Thomas; Wardell, Solange M. S.; Tiekink, Edward ; Wardell, James.

In: Acta Crystallographica Section E: Structure Reports Online, Vol. E68, 04.2012, p. o1016-o1017.

Research output: Contribution to journalArticle

Baddeley, Thomas ; Wardell, Solange M. S. ; Tiekink, Edward ; Wardell, James. / 1,3-Diphenyl-4,5-dihydro-1H-pyrazol-5-one. In: Acta Crystallographica Section E: Structure Reports Online. 2012 ; Vol. E68. pp. o1016-o1017.
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abstract = "In the title pyrazolone derivative, C15H12N2O, the five-membered ring is approximately planar (r.m.s. deviation = 0.018 {\AA}), and the N- and C-bound benzene rings are inclined to this plane [dihedral angles = 21.45 (10) and 6.96 (10)°, respectively] and form a dihedral angle of 20.42 (10)° with each other. Supra­molecular layers are formed in the crystal structure via C—H⋯O and C—H⋯N inter­actions, and these are assembled into double layers by C—H⋯π and π–π inter­actions between the pyrazole and C-bound benzene rings [ring centroid–centroid distance = 3.6476 (12) {\AA}]. The double layers stack along the a axis being connected by π–π inter­actions between the N- and C-bound benzene rings [ring centroid–centroid distance = 3.7718 (12) {\AA}]",
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AU - Wardell, James

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N2 - In the title pyrazolone derivative, C15H12N2O, the five-membered ring is approximately planar (r.m.s. deviation = 0.018 Å), and the N- and C-bound benzene rings are inclined to this plane [dihedral angles = 21.45 (10) and 6.96 (10)°, respectively] and form a dihedral angle of 20.42 (10)° with each other. Supra­molecular layers are formed in the crystal structure via C—H⋯O and C—H⋯N inter­actions, and these are assembled into double layers by C—H⋯π and π–π inter­actions between the pyrazole and C-bound benzene rings [ring centroid–centroid distance = 3.6476 (12) Å]. The double layers stack along the a axis being connected by π–π inter­actions between the N- and C-bound benzene rings [ring centroid–centroid distance = 3.7718 (12) Å]

AB - In the title pyrazolone derivative, C15H12N2O, the five-membered ring is approximately planar (r.m.s. deviation = 0.018 Å), and the N- and C-bound benzene rings are inclined to this plane [dihedral angles = 21.45 (10) and 6.96 (10)°, respectively] and form a dihedral angle of 20.42 (10)° with each other. Supra­molecular layers are formed in the crystal structure via C—H⋯O and C—H⋯N inter­actions, and these are assembled into double layers by C—H⋯π and π–π inter­actions between the pyrazole and C-bound benzene rings [ring centroid–centroid distance = 3.6476 (12) Å]. The double layers stack along the a axis being connected by π–π inter­actions between the N- and C-bound benzene rings [ring centroid–centroid distance = 3.7718 (12) Å]

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