Narayanan P, Kamalraja Jayabal, Perumal Paramasivam T, Sethusankar K
Department of Physics, RKM Vivekananda College (Autonomous), Chennai 600 004, India.
Acta Crystallogr Sect E Struct Rep Online. 2013 May 22;69(Pt 6):o931-2. doi: 10.1107/S1600536813012774. Print 2013 Jun 1.
In the title compound, C16H15BrN2O4, the six-membered carbocyclic ring of the chromene moiety adopts an envelope conformation with the disordered methyl-ene C atom as the flap. The pyran ring is almost orthogonal to the chloro-phenyl ring, making a dihedral angle of 87.11 (12)°. The amine-group N atom deviates significantly from the pyran ring [0.238 (3) Å]. The mol-ecular structure is stabilized by an intra-molecular N-H⋯O hydrogen bond, which generates an S(6) ring motif. In the crystal, mol-ecules are linked via C-H⋯O hydrogen bonds, which generate C(8) chains running parallel to the b axis. The chains are linked by C-H⋯π inter-actions. The methyl-ene-group C atom of the chromene system that is disordered, along with its attached H atoms and the H atoms on the two adjacent C atoms, has an occupancy ratio of 0.791 (7):0.209 (7).
在标题化合物C₁₆H₁₅BrN₂O₄中，色烯部分的六元碳环呈信封构象，以无序的亚甲基C原子为折边。吡喃环与氯苯环几乎正交，二面角为87.11 (12)°。胺基N原子明显偏离吡喃环[0.238 (3) Å]。分子结构通过分子内N-H⋯O氢键得以稳定，形成S(6)环模式。在晶体中，分子通过C-H⋯O氢键相连，形成平行于b轴的C(8)链。这些链通过C-H⋯π相互作用相连。色烯体系中无序的亚甲基C原子及其相连的H原子以及两个相邻C原子上的H原子，占有率为0.791 (7):0.209 (7)。
