Crystal structure of 8-ethoxy-3-(4-nitrophenyl)-2H-chromen-2-one

Walki, S. and Naveen, S. and Kenchanna, S. and Mahadeyan, K. M. and Kumara, M. N. and Lokanath, N. K. (2015) Crystal structure of 8-ethoxy-3-(4-nitrophenyl)-2H-chromen-2-one. Acta Crystallographica Section E-Crystallographic Communications, 71 (11). O860-U483. ISSN ISSN 2056-9890

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In the title compound, C17H13NO5, the coumarin ring system is essentially planar (r.m.s. deviation = 0.008 angstrom). The nitrophenyl ring makes a dihedral angle of 25.27 (9)degrees with the coumarin ring plane. The nitro group is almost coplanar with the phenyl ring to which it is attached, making a dihedral angle of 4.3 (3)degrees. The ethoxy group is inclined to the coumarin ring plane by 4.1 (2)degrees. Electron delocalization was found at the short bridging C-C bond with a bond length of 1.354 (2) angstrom. In the crystal, molecules are linked via C-H center dot center dot center dot O hydrogen bonds, forming sheets in the bc plane. The sheets are linked via pi-pi stacking centroid-centroid distances = 3.5688 (13) and 3.7514 (13) angstrom], forming a three-dimensional structure.

Item Type: Article
Uncontrolled Keywords: crystal structure; coumarin; chromen; C-H center dot center dot center dot O hydrogen bonds; pi-pi stacking
Subjects: C Chemical Science > Chemistry
D Physical Science > Physics
Divisions: Department of > Chemistry
Department of > Physics
Depositing User: Users 19 not found.
Date Deposited: 29 May 2019 11:08
Last Modified: 17 Sep 2019 10:27

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