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7-Benzyl-3-(4-fluoro-phen-yl)-2-(pyrrol-idin-1-yl)-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(26)H(25)FN(4)OS, the thienopyrimidine fused-ring system is close to planar (r.m.s. deviation = 0.066?Å), with a maximum deviation of 0.1243?(17)?Å for the N atom adjacent to the carbonyl group. This ring system forms dihedral angles of 67.5?(1) and 88.9?(1) ° with the adjacent six-membered rings. Inter-molecular C-H?O hydrogen bonding and C-H?? inter-actions help to stabilize the crystal structure.

SUBMITTER: Chen H 

PROVIDER: S-EPMC3200784 | biostudies-literature | 2011 Sep

REPOSITORIES: biostudies-literature

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7-Benzyl-3-(4-fluoro-phen-yl)-2-(pyrrol-idin-1-yl)-5,6,7,8-tetra-hydro-pyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one.

Chen Hong H   Hu Hai-Jun HJ   Yan Kai K   Dai Qiu-Hong QH  

Acta crystallographica. Section E, Structure reports online 20110802 Pt 9

In the title compound, C(26)H(25)FN(4)OS, the thienopyrimidine fused-ring system is close to planar (r.m.s. deviation = 0.066 Å), with a maximum deviation of 0.1243 (17) Å for the N atom adjacent to the carbonyl group. This ring system forms dihedral angles of 67.5 (1) and 88.9 (1) ° with the adjacent six-membered rings. Inter-molecular C-H⋯O hydrogen bonding and C-H⋯π inter-actions help to stabilize the crystal structure. ...[more]

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