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4'-氰基-[1,1'-联苯]-4-基 3-(苄氧基)苯甲酸酯的合成、晶体结构及 Hirshfeld 表面分析

Synthesis, crystal structure and Hirshfeld surface analysis of 4'-cyano-[1,1'-biphen-yl]-4-yl 3-(benz-yloxy)benzoate.

作者信息

Harish Kumar M, Vinduvahini M, Devarajegowda H C, Srinivasa H T, Palakshamurthy B S

机构信息

Department of Physics Yuvaraja's College University of Mysore,Mysore 570005 Karnaataka India.

Department of Physics, Maharani's Science College for Women(Autonomous) Mysore, Karnataka, 750005, India.

出版信息

Acta Crystallogr E Crystallogr Commun. 2024 Sep 12;80(Pt 10):1010-1013. doi: 10.1107/S2056989024008570. eCollection 2024 Sep 1.

DOI:10.1107/S2056989024008570
PMID:39372188
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC11451486/
Abstract

In the title compound, CHON, the dihedral angle between the aromatic rings of the biphenyl unit is 38.14 (2)° and the C-O-C-C torsion angle in the benz-yloxy benzene fragment is 179.1 (2)°. In the crystal, the mol-ecules are linked by weak C-H⋯O inter-actions forming (9) chains propagating along [010]. The most important contributions to the Hirshfeld surface arise from H⋯H (32.4%) and C⋯H/H⋯C (37.0%) contacts.

摘要

在标题化合物CHON中，联苯单元的芳环之间的二面角为38.14 (2)°，苄氧基苯片段中的C-O-C-C扭转角为179.1 (2)°。在晶体中，分子通过弱C-H⋯O相互作用相连，形成沿[010]方向延伸的(9)链。对Hirshfeld表面最重要的贡献来自H⋯H（32.4%）和C⋯H/H⋯C（37.0%）接触。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/567f/11451486/f2226473e429/e-80-01010-fig6.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/567f/11451486/e9227bff5473/e-80-01010-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/567f/11451486/f39d158593ee/e-80-01010-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/567f/11451486/8111846e4c68/e-80-01010-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/567f/11451486/a52620165ff1/e-80-01010-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/567f/11451486/16495b5704c4/e-80-01010-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/567f/11451486/f2226473e429/e-80-01010-fig6.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/567f/11451486/e9227bff5473/e-80-01010-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/567f/11451486/f39d158593ee/e-80-01010-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/567f/11451486/8111846e4c68/e-80-01010-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/567f/11451486/a52620165ff1/e-80-01010-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/567f/11451486/16495b5704c4/e-80-01010-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/567f/11451486/f2226473e429/e-80-01010-fig6.jpg

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