Thiruvalluvar Aravazhi Amalan, Sridharan M, Rajendra Prasad K J, Zeller M
Principal (Retired), Kunthavai Naacchiyaar Government Arts College for Women (Autonomous), Thanjavur 613 007, Tamilnadu, India.
Department of Chemistry, RV College of Engineering, Bangalore 560 059, Karnataka, India.
Acta Crystallogr E Crystallogr Commun. 2021 Jul 16;77(Pt 9):867-870. doi: 10.1107/S2056989021007210. eCollection 2021 Sep 1.
Two crystallographically independent mol-ecules are present in the asymmetric unit of the title compound, CHNO, with virtually identical geometries. The carbazole units are planar. The hy-droxy group at position 1, carbaldehyde group at position 2, and methyl group at position 8 (with the exception of two H atoms) are coplanar with the attached benzene rings. The dihedral angle between the two benzene rings is 2.20 (9)° in mol-ecule and 2.01 (9)° in mol-ecule . The pyrrole ring makes dihedral angles of 0.82 (10) and 1.40 (10)° [0.84 (10) and 1.18 (10)° in mol-ecule ] with the (-CH)-substituted and (-OH and -CHO) substituted benzene rings, respectively. The mol-ecular structure is stabilized by the intra-molecular O-H⋯O hydrogen bonds, while the crystal structure features N-H⋯O and C-H⋯O hydrogen bonds. A range of π-π contacts further stabilizes the crystal structure.
在标题化合物CHNO的不对称单元中存在两个晶体学独立的分子,其几何结构几乎相同。咔唑单元是平面的。1位的羟基、2位的醛基和8位的甲基(除两个氢原子外)与相连的苯环共面。在分子中,两个苯环之间的二面角为2.20 (9)°,在分子中为2.01 (9)°。吡咯环与(-CH)-取代的苯环和(-OH及-CHO)取代的苯环分别形成的二面角为0.82 (10)°和1.40 (10)°[在分子中为0.84 (10)°和1.18 (10)°]。分子结构通过分子内O-H⋯O氢键得以稳定,而晶体结构具有N-H⋯O和C-H⋯O氢键。一系列π-π接触进一步稳定了晶体结构。