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Crystal structure of 3,5-dimeth-oxy-2-[5-(naphthalen-1-yl)-4,5-di-hydro-1H-pyrazol-3-yl]phenol.

ABSTRACT: In the title compound, C21H20N2O3, the planes of the benzene ring and the naphthalene ring system are inclined to one another by 70.95°, and by 4.99?(6) and 75.93?(5)°, respectively, to the mean plane of the pyrazoline ring. The latter has an envelope conformation with the methine (CH) C atom as the flap. There is an intra-molecular O-H?N hydrogen bond that forms an S(6) ring motif. In the crystal, mol-ecules are linked by C-H?O hydrogen bonds, forming chains along [100]. The chains are linked via C-H?N hydrogen bonds, forming sheets parallel to the ab plane. The sheets are linked by a series of N-H?? and C-H?? inter-actions forming a three-dimensional structure.

SUBMITTER: Koh D

PROVIDER: S-EPMC4647439 | biostudies-literature | 2015 Oct

REPOSITORIES: biostudies-literature

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Crystal structure of 3,5-dimeth-oxy-2-[5-(naphthalen-1-yl)-4,5-di-hydro-1H-pyrazol-3-yl]phenol.

Koh Dongsoo D

Acta crystallographica. Section E, Crystallographic communications 20150912 Pt 10

In the title compound, C21H20N2O3, the planes of the benzene ring and the naphthalene ring system are inclined to one another by 70.95°, and by 4.99 (6) and 75.93 (5)°, respectively, to the mean plane of the pyrazoline ring. The latter has an envelope conformation with the methine (CH) C atom as the flap. There is an intra-molecular O-H⋯N hydrogen bond that forms an S(6) ring motif. In the crystal, mol-ecules are linked by C-H⋯O hydrogen bonds, forming chains along [100]. The chains are linked v ...[more]

PMID: 26594435

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