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7-Benzyl-3-(4-fluoro-phen-yl)-2-propyl-amino-5,6,7,8-tetra-hydro-pyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one.

ABSTRACT: In the title compound, C(25)H(25)FN(4)OS, the thienopyrimidine fused-ring system is close to planar (r.m.s. deviation = 0.0089?Å), with a maximum deviation of 0.0261?(17)?Å for the N atom adjacent to the benzene ring. This thienopyrimidine fused-ring system forms dihedral angles of 64.73?(3) and 81.56?(5)° with the adjacent benzyl and fluoro-phenyl rings, respectively. Inter-molecular N-H?F and C-H?F hydrogen bonding, as well as C-F?? inter-actions [F?centroid = 3.449?(3)?Å; C-F?centroid = 91.87?(15)°], help to stabilize the crystal structure.

SUBMITTER: Hu HJ

PROVIDER: S-EPMC3344049 | biostudies-literature | 2012 Apr

REPOSITORIES: biostudies-literature

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7-Benzyl-3-(4-fluoro-phen-yl)-2-propyl-amino-5,6,7,8-tetra-hydro-pyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one.

Hu Hai-Jun HJ Chen Hong H

Acta crystallographica. Section E, Structure reports online 20120317 Pt 4

In the title compound, C(25)H(25)FN(4)OS, the thienopyrimidine fused-ring system is close to planar (r.m.s. deviation = 0.0089 Å), with a maximum deviation of 0.0261 (17) Å for the N atom adjacent to the benzene ring. This thienopyrimidine fused-ring system forms dihedral angles of 64.73 (3) and 81.56 (5)° with the adjacent benzyl and fluoro-phenyl rings, respectively. Inter-molecular N-H⋯F and C-H⋯F hydrogen bonding, as well as C-F⋯π inter-actions [F⋯centroid = 3.449 (3) Å; C-F⋯centroid = 91.87 ...[more]

PMID: 22589958

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