Crystal structure of 4-methyl-2-oxo-2H-chromen-7-yl ferrocenecarboxylate

被引：4

作者：

Yu, Juan ^{[1
]}

Gao, Lei-Lei ^{[1
]}

Huang, Peng ^{[1
]}

Wang, Dian-Lei ^{[1
]}

机构：

[1] Anhui Univ Chinese Med, Sch Pharm, Hefei 230038, Anhui, Peoples R China

来源：

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS | 2014年 / 70卷

基金：

中国国家自然科学基金;

关键词：

crystal structure; ferrocene; coumarin; pharmacological activity-4-methyl-2-oxo-2H-chromene-7-yl ferrocenecarboxylate;

D O I：

10.1107/S1600536814022120

中图分类号：

O7 [晶体学];

学科分类号：

0702 ; 070205 ; 0703 ; 080501 ;

摘要：

The title molecule, Fe(C5H5)(C16H11O4)], consists of a ferrocenyl moiety and a 4-methylcoumarin group linked through an ester unit to one of the cyclopentadienyl (Cp) rings. The two Cp rings are virually parallel, with an angle between the two least-squares planes of 0.74 (16)degrees. The distances between the Fe II atom and the centroids of the two Cp rings are 1.639 (2) and 1.652 (2)angstrom. The conformation of the ferrocenyl moiety is slightly away from eclipsed. The dihedral angle between the coumarin ring system and the ferrocenyl ester moiety is 69.17 (19)degrees center dot pi-pi stacking interactions involving the benzene rings of neighbouring coumarin moieties, with centroid-centroid distances of 3.739 (2)angstrom, consolidate the crystal packing.

引用

页码：M369 / +

页数：11

共 7 条

[1] Bruker, 2007, APEX2 SADABS SAINT
[2] Chen WY, 2004, CHINESE CHEM LETT, V15, P1146
[3] Synthesis of ferrocenoate esters, amides and other ferrocenoyl derivatives using ferrocenoyl fluoride.: A comparison of the reactions of ferrocenoyl fluoride in [bmim][BF4] with the microwave-promoted solvent-free reactions of ferrocenoyl fluoride
Imrie, C
Elago, ERT
Williams, N
McCleland, CW
Engelbrecht, P
[J]. JOURNAL OF ORGANOMETALLIC CHEMISTRY, 2005, 690 (21-22) : 4959 - 4966
[4] Esterification reactions in ionic liquids.: The efficient synthesis of ferrocenyl esters in the ionic liquids [bmim][BF4] and [bmim][PF6]
Imrie, C
Elago, ERT
McCleland, CW
Williams, N
[J]. GREEN CHEMISTRY, 2002, 4 (02) : 159 - 160
[5] Current Developments of Coumarin Compounds in Medicinal Chemistry
Peng, Xin-Mei
Damu, Guri L. V.
Zhou, Cheng-He
[J]. CURRENT PHARMACEUTICAL DESIGN, 2013, 19 (21) : 3884 - 3930
[6] A short history of SHELX
Sheldrick, George M.
[J]. ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 2008, 64 : 112 - 122
[7] Synthesis, characterization and diastereoselective coordination of a planarly chiral, hybrid ferrocene ligand, (Sp)-2-(diphenylphosphino)ferrocenecarboxylic acid
Stepnicka, P
[J]. NEW JOURNAL OF CHEMISTRY, 2002, 26 (05) : 567 - 575

← 1 →