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3,3'-{[(联苯-2,2'-二基)双-(亚甲基)]双-(氧代)}双-[N-(4-氯苯基)苯甲酰胺]

3,3'-{[(Biphenyl-2,2'-di-yl)bis-(methyl-ene)]bis-(-oxy)}bis-[N-(4-chloro-phen-yl)benzamide].

作者信息

Rajadurai Raj, Padmanabhan Ramar, Meenakshi Sundaram Soma Sundaram, Ananthan Sarkkarai

机构信息

Orchid Chemicals and Pharmaceuticals Limited, R&D Centre, Chennai 600 119, India.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2013 May 18;69(Pt 6):o914-5. doi: 10.1107/S160053681301009X. Print 2013 Jun 1.

DOI:10.1107/S160053681301009X
PMID:23795085
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3685066/
Abstract

In the title compound, C40H30Cl2N2O4, the two benzene rings of the biphenyl unit are twisted with respect to each other, making a dihedral angle of 73.07 (4)°. The benzene rings of the benzamide groups form dihedral angles of 77.09 (5) and 55.48 (6)° with the central biphenyl moiety. In the crystal, mol-ecules are linked through N-H⋯O hydrogen bonds to form a fused R 2 (2)(38) ring motif which forms a supermolecular ribbon network extending along the [100] plane. In the two 4-chloro-phenyl rings, the five C atoms and their attached H atoms are disordered over two sets of sites, with site-occupancy factors of 0.657 (15):0.343 (15) and 0.509 (13):0.491 (13).

摘要

在标题化合物C₄₀H₃₀Cl₂N₂O₄中，联苯单元的两个苯环相互扭曲，二面角为73.07 (4)°。苯甲酰胺基团的苯环与中心联苯部分形成的二面角分别为77.09 (5)°和55.48 (6)°。在晶体中，分子通过N—H⋯O氢键相连，形成一个稠合的R₂(2)(38)环 motif，该 motif 形成了一个沿[100]平面延伸的超分子带状网络。在两个4 - 氯苯环中，五个C原子及其连接的H原子在两组位置上无序分布，占位因子分别为0.657 (15):0.343 (15)和0.509 (13):0.491 (13)。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0702/3685066/d7aa390ba820/e-69-0o914-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0702/3685066/b23fd9811fb5/e-69-0o914-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0702/3685066/d7aa390ba820/e-69-0o914-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0702/3685066/b23fd9811fb5/e-69-0o914-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0702/3685066/d7aa390ba820/e-69-0o914-fig2.jpg

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