Suppr超能文献

1-羟基-8-甲基-9-咔唑-2-甲醛的合成与晶体结构

Synthesis and crystal structure of 1-hy-droxy-8-methyl-9-carbazole-2-carbaldehyde.

作者信息

Thiruvalluvar Aravazhi Amalan, Sridharan M, Rajendra Prasad K J, Zeller M

机构信息

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.

出版信息

Acta Crystallogr E Crystallogr Commun. 2021 Jul 16;77(Pt 9):867-870. doi: 10.1107/S2056989021007210. eCollection 2021 Sep 1.

Abstract

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.

摘要

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。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c281/8423023/45d3d87442d6/e-77-00867-fig1.jpg

文献AI研究员

20分钟写一篇综述,助力文献阅读效率提升50倍。

立即体验

用中文搜PubMed

大模型驱动的PubMed中文搜索引擎

马上搜索

文档翻译

学术文献翻译模型,支持多种主流文档格式。

立即体验