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Crystal structure of 10-[(3-oxo-3H-benzo[f]chromen-1-yl)meth-yl]-2-tri-fluoro-methyl-9a,10-di-hydro-benz[4,5]imidazo[1,2-a]pyrimidin-4(5aH)-one.

ABSTRACT: In the title compound, C25H14F3N3O3, the dihedral angle between the planes of the benz[4,5]imidazo[1,2-a]pyrimidine unit (r.m.s. deviation = 0.035?Å) and the benzochromene ring system (r.m.s. deviation = 0.106?Å) is 72.82?(5)°. In the crystal, mol-ecules are linked by C-H?O inter-actions, generating [010] C(9) chains. A weak aromatic ?-? stacking inter-action [centroid-centroid separation = 3.5376?(15)?Å] is also observed.

SUBMITTER: Chandra

PROVIDER: S-EPMC4555409 | biostudies-literature | 2015 Sep

REPOSITORIES: biostudies-literature

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Crystal structure of 10-[(3-oxo-3H-benzo[f]chromen-1-yl)meth-yl]-2-tri-fluoro-methyl-9a,10-di-hydro-benz[4,5]imidazo[1,2-a]pyrimidin-4(5aH)-one.

Chandra Kumar Shamantha S Puttaraju K B KB Shivashankar K K Mahendra M M

Acta crystallographica. Section E, Crystallographic communications 20150822 Pt 9

In the title compound, C25H14F3N3O3, the dihedral angle between the planes of the benz[4,5]imidazo[1,2-a]pyrimidine unit (r.m.s. deviation = 0.035 Å) and the benzochromene ring system (r.m.s. deviation = 0.106 Å) is 72.82 (5)°. In the crystal, mol-ecules are linked by C-H⋯O inter-actions, generating [010] C(9) chains. A weak aromatic π-π stacking inter-action [centroid-centroid separation = 3.5376 (15) Å] is also observed. ...[more]

PMID: 26396897

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