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(Z)-1-[4-Fluoro-2-(pyrrolidin-1-yl)phen-yl]-3-phenyl-2-(1H-1,2,4-triazol-1-yl)prop-2-en-1-one.

ABSTRACT: In the title mol-ecule, C(21)H(19)FN(4)O, the triazole ring forms dihedral angles of 67.0?(1) and 59.6?(1)° with the phenyl and fluoro-substituted benzene rings, respectively. The dihedral angle between the phenyl ring and the fluoro-substituted benzene ring is 79.1?(1)°. The pyrrolidine ring is in a half-chair conformation. In the crystal, weak C-H?O and C-H?N hydrogen bonds connect mol-ecules into layers parallel to (001).

SUBMITTER: Wen QM 

PROVIDER: S-EPMC3379244 | biostudies-other | 2012 Jun

REPOSITORIES: biostudies-other

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(Z)-1-[4-Fluoro-2-(pyrrolidin-1-yl)phen-yl]-3-phenyl-2-(1H-1,2,4-triazol-1-yl)prop-2-en-1-one.

Wen Qin-Mei QM   Yin Ben-Tao BT   Yan Cong-Yan CY   Zhou Cheng-He CH  

Acta crystallographica. Section E, Structure reports online 20120505 Pt 6

In the title mol-ecule, C(21)H(19)FN(4)O, the triazole ring forms dihedral angles of 67.0 (1) and 59.6 (1)° with the phenyl and fluoro-substituted benzene rings, respectively. The dihedral angle between the phenyl ring and the fluoro-substituted benzene ring is 79.1 (1)°. The pyrrolidine ring is in a half-chair conformation. In the crystal, weak C-H⋯O and C-H⋯N hydrogen bonds connect mol-ecules into layers parallel to (001). ...[more]

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