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5-Benzoyl-4-(4-fluoro-phen-yl)-3,4-dihydro-pyrimidin-2(1H)-one.

ABSTRACT: In the title mol-ecule, C(17)H(13)FN(2)O(2), the 3,4-dihydro-pyrimidine ring adopts a flattened sofa conformation with the flap atom (which bears the fluoro-phenyl substituent) deviating from the plane defined by the remaining five ring atoms by 0.281?(2)?Å. This plane forms dihedral angles of 85.98?(6) and 60.63?(6)° with the 4-fluoro-phenyl and benzoyl-phenyl rings, respectively. The dihedral angle between the 4-fluoro-phenyl group and the benzene ring is 71.78?(6)°. In the crystal, N-H?O hydrogen bonds link mol-ecules into inversion dimers that are further connected by another N-H?O inter-action into a two-dimensional supra-molecular structure parallel to (101).

SUBMITTER: Kant R

PROVIDER: S-EPMC3569257 | biostudies-literature | 2013 Feb

REPOSITORIES: biostudies-literature

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5-Benzoyl-4-(4-fluoro-phen-yl)-3,4-dihydro-pyrimidin-2(1H)-one.

Kant Rajni R Gupta Vivek K VK Kapoor Kamini K Patil D R DR Deshmukh Madhukar B MB

Acta crystallographica. Section E, Structure reports online 20130109 Pt 2

In the title mol-ecule, C(17)H(13)FN(2)O(2), the 3,4-dihydro-pyrimidine ring adopts a flattened sofa conformation with the flap atom (which bears the fluoro-phenyl substituent) deviating from the plane defined by the remaining five ring atoms by 0.281 (2) Å. This plane forms dihedral angles of 85.98 (6) and 60.63 (6)° with the 4-fluoro-phenyl and benzoyl-phenyl rings, respectively. The dihedral angle between the 4-fluoro-phenyl group and the benzene ring is 71.78 (6)°. In the crystal, N-H⋯O hydr ...[more]

PMID: 23424480

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