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4-氧代-4H-[1,4'-联喹啉]-3,3'-二羧酸二乙酯

Diethyl 4-oxo-4H-[1,4'-bi-quinoline]-3,3'-di-carboxyl-ate.

作者信息

Ishikawa Yoshinobu, Yoshida Nanako

机构信息

School of Pharmaceutical Sciences, University of Shizuoka, 52-1 Yada, Suruga-ku, Shizuoka 422-8526, Japan.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2014 Apr 5;70(Pt 5):o523. doi: 10.1107/S1600536814007314. eCollection 2014 May 1.

DOI:10.1107/S1600536814007314
PMID:24860337
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC4011309/
Abstract

In the title mol-ecule, C24H20N2O5, the quinoline and quinolinone moieties are practically perpendicular to each other, forming a dihedral angle of 89.06 (3)°. In the crystal, each moiety forms coplanar π-stacked couples with the respective inversion equivalents. The quinolinone moieties overlap with their benzene rings with a centroid-centroid separation of 3.641 (2) Å, whereas the quinoline moieties overlap with their pyridine rings with a separation of 3.592 (2) Å. The resulting supra-molecular chains propargate along [101].

摘要

在标题分子C24H20N2O5中，喹啉和喹啉酮部分实际上相互垂直，形成89.06 (3)°的二面角。在晶体中，每个部分与其各自的反演等效物形成共面的π堆积对。喹啉酮部分与其苯环重叠，质心间距为3.641 (2) Å，而喹啉部分与其吡啶环重叠，间距为3.592 (2) Å。由此产生的超分子链沿[101]方向延伸。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/403f/4011309/fc4a5b9f9c22/e-70-0o523-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/403f/4011309/de5c3589b6d0/e-70-0o523-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/403f/4011309/e2b5a064ff58/e-70-0o523-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/403f/4011309/fc4a5b9f9c22/e-70-0o523-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/403f/4011309/de5c3589b6d0/e-70-0o523-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/403f/4011309/e2b5a064ff58/e-70-0o523-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/403f/4011309/fc4a5b9f9c22/e-70-0o523-fig3.jpg

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