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1-{3-(4-Chloro-phen-yl)-5-[4-(propan-2-yl)phen-yl]-4,5-di-hydro-1H-pyrazol-1-yl}propan-1-one.

ABSTRACT: In the title compound, C21H23ClN2O, the dihedral angle between the benzene rings is 83.2?(6)°, while the mean plane of the pyrazole ring [r.m.s. deviation = 0.043?(1)?Å] makes dihedral angles of 3.4?(3) and 86.2?(1)° with the benzene rings. In the crystal, a pair of weak C-H?O inter-actions between the benzene ring and the propan-1-one group link the mol-ecules into an inversion dimer with an R 2 (2)(16) graph-set motif. In addition, a weak ?-? stacking inter-action [centroid-centroid distance = 3.959?(4)?Å] connects the dimers into a tape running along [201].

SUBMITTER: Narayana B 

PROVIDER: S-EPMC4120579 | biostudies-literature | 2014 Jul

REPOSITORIES: biostudies-literature

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1-{3-(4-Chloro-phen-yl)-5-[4-(propan-2-yl)phen-yl]-4,5-di-hydro-1H-pyrazol-1-yl}propan-1-one.

Narayana B B   Salian Vinutha V VV   Sarojini Balladka K BK   Jasinski Jerry P JP  

Acta crystallographica. Section E, Structure reports online 20140611 Pt 7

In the title compound, C21H23ClN2O, the dihedral angle between the benzene rings is 83.2 (6)°, while the mean plane of the pyrazole ring [r.m.s. deviation = 0.043 (1) Å] makes dihedral angles of 3.4 (3) and 86.2 (1)° with the benzene rings. In the crystal, a pair of weak C-H⋯O inter-actions between the benzene ring and the propan-1-one group link the mol-ecules into an inversion dimer with an R 2 (2)(16) graph-set motif. In addition, a weak π-π stacking inter-action [centroid-centroid distance =  ...[more]

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