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1-[5-(4-Meth-oxy-phen-yl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]ethanone.

ABSTRACT: The title mol-ecule, C(18)H(18)N(2)O(2), is V-shaped with the pyrazoline moiety being inclined to the adjacent phenyl ring by an angle of 6.49?(9)°, while the 4-meth-oxy-substituted ring is inclined to the pyrazoline ring by 82.99?(9)°. In the crystal, adjacent mol-ecules are linked by C-H?O inter-actions, forming chains propagating in [100]. There are also C-H?? inter-actions involving adjacent mol-ecules and those related by an inversion center.

SUBMITTER: Abbas A

PROVIDER: S-EPMC3011559 | biostudies-literature | 2010 Nov

REPOSITORIES: biostudies-literature

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1-[5-(4-Meth-oxy-phen-yl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]ethanone.

Abbas Asghar A Hussain Safdar S Hafeez Noureen N Lo Kong Mun KM Hasan Aurangzeb A

Acta crystallographica. Section E, Structure reports online 20101113 Pt 12

The title mol-ecule, C(18)H(18)N(2)O(2), is V-shaped with the pyrazoline moiety being inclined to the adjacent phenyl ring by an angle of 6.49 (9)°, while the 4-meth-oxy-substituted ring is inclined to the pyrazoline ring by 82.99 (9)°. In the crystal, adjacent mol-ecules are linked by C-H⋯O inter-actions, forming chains propagating in [100]. There are also C-H⋯π inter-actions involving adjacent mol-ecules and those related by an inversion center. ...[more]

PMID: 21589470

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Project description:In the title compound, C(18)H(17)ClN(2)O(2), the benzene rings form dihedral angles of 6.69 (6) and 74.88 (5)° with the 4,5-dihydro-1H-pyrazole ring. The benzene rings form a dihedral angle of 76.67 (5)° with each other. In the crystal, mol-ecules are linked via bifurcated (C,C)-H⋯O hydrogen bonds into chains along [010]. The crystal structure is further consolidated by C-H⋯π inter-actions.

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1-[3,5-Bis(4-fluoro-phen-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone.

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Project description:In the title compound, C(17)H(15)ClN(2)O(2), the benzene rings form dihedral angles of 89.56?(5) and 5.87?(5)° with the mean plane of the pyrazoline ring (r.m.s. deviation = 0.084?Å). The dihedral angle between the two benzene rings is 87.57?(5)°. In the crystal, mol-ecules are linked by O-H?O and C-H?O hydrogen bonds into a helical chain along the c axis. Between the chains weak C-H?N and C-H?O inter-actions are present. The crystal studied was an inversion twin with a domain ratio of 0.72?(4):0.28?(4).

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