Crystal structure of benzo[ h]quinoline-3-carbox-amide

Acta Crystallogr E Crystallogr Commun. 2019 Nov 5;75(Pt 12):1828-1832. doi: 10.1107/S2056989019014440. eCollection 2019 Dec 1.

Abstract

The title com-pound, C14H10N2O, crystallizes in the monoclinic space group P21/c with four mol-ecules in the unit cell. All 17 non-H atoms of one mol-ecule lie essentially in one plane. In the unit cell, two pairs of mol-ecules are exactly coplanar, while the angle between these two orientations is close to perfectly perpendicular at 87.64 (6)°. In the crystal, mol-ecules adopt a 50:50 crisscross arrangement, which is held together by two nonclassical and two classical inter-molecular hydrogen bonds. The hydrogen-bonding network together with off-centre π-π stacking inter-actions between the pyridine and outermost benzene rings, stack the mol-ecules along the b-axis direction.

Keywords: benzo­quinoline; crystal structure; nicotinamide derivative; photocyclization.

Grants and funding

This work was funded by Deutsche Forschungsgemeinschaft grant 393148499.