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4-甲氧基苯甲酸-2-氧代-2H-色烯-4-基酯

2-Oxo-2H-chromen-4-yl 4-meth-oxy-benzoate.

作者信息

Abou Akoun, Djandé Abdoulaye, Danger Grégoire, Saba Adama, Kakou-Yao Rita

机构信息

Laboratoire de Cristallographie et Physique Moléculaire, UFR SSMT, Université de Cocody, 22 BP 582 Abidjan 22, Côte d'Ivoire.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Dec 1;68(Pt 12):o3438-9. doi: 10.1107/S1600536812047666. Epub 2012 Nov 24.

DOI:10.1107/S1600536812047666
PMID:23476255
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3589019/
Abstract

In the title mol-ecule, C17H12O5, the chromen-2-one ring and the 4-meth-oxy-benzoate side chain are inclined to one another at a dihedral angle of 69.82 (9)°. The crystal structure features parallel sheets of centrosymmetric R2(2)(6) dimers joined by a C(7) chain, resulting in centrosymetric tetra-mers of hydrogen-bonded mol-ecules with graph-set motif R4(4)(40). These centrosymetric tetra-mers are connected by a pair of hydrogen bonds described by an R2(2)(8) ring motif and a C(7) chain via C-H⋯O inter-actions. In the structure, there are also π-π stacking inter-actions between chromene benzene and the six-membered heterocyclic rings [centroid-centroid distance = 3.691 (2) Å] and weak C=O⋯π inter-actions [O⋯(ring centroid) distance = 3.357 (3) Å].

摘要

在标题分子C₁₇H₁₂O₅中，色烯-2-酮环与4-甲氧基苯甲酸酯侧链之间的二面角为69.82 (9)°。晶体结构的特征是由C(7)链连接的中心对称R₂(2)(6)二聚体形成的平行片层，从而产生具有R₄(4)(40)图形集模式的氢键分子中心对称四聚体。这些中心对称四聚体通过由R₂(2)(8)环模式和C(7)链描述的一对氢键经由C—H⋯O相互作用相连。在该结构中，色烯苯环与六元杂环之间还存在π-π堆积相互作用[质心-质心距离 = 3.691 (2) Å]以及弱的C=O⋯π相互作用[O⋯(环质心)距离 = 3.357 (3) Å]。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3932/3589019/f3e7934abb71/e-68-o3438-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3932/3589019/e6bf86f5604b/e-68-o3438-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3932/3589019/7731f6f0ae6c/e-68-o3438-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3932/3589019/81d773bdd7a1/e-68-o3438-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3932/3589019/f3e7934abb71/e-68-o3438-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3932/3589019/e6bf86f5604b/e-68-o3438-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3932/3589019/7731f6f0ae6c/e-68-o3438-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3932/3589019/81d773bdd7a1/e-68-o3438-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3932/3589019/f3e7934abb71/e-68-o3438-fig4.jpg

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A short history of SHELX.SHELX简史。
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