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Crystal structure of 4-methyl-7-propoxy-2H-chromen-2-one

Authors :
Samuel Estrada-Soto
Amanda Sánchez-Recillas
Gabriel Navarrete-Vázquez
Hugo Tlahuext
Source :
Acta Crystallographica Section E, Vol 70, Iss 11, Pp 451-453 (2014)
Publication Year :
2014
Publisher :
International Union of Crystallography, 2014.

Abstract

The asymmetric unit of the title compound, C13H14O3, contains two independent molecules, A and B, that are interconnected through an offset π–π interaction [inter-centroid separation = 3.6087 (4) Å]. The fused benzene and pyran-2-one rings in each molecule are essentially coplanar, having dihedral angles of 1.22 (12) and 1.57 (12)° for molecules A and B, respectively. Similarly, the coumarin ring system and the 7-propoxy substituent are close to being coplanar [C—C—O—C torsion angles = 2.9 (2) and 1.4 (2)° for molecules A and B, respectively]. In the crystal, the molecules are connected by C—H...O hydrogen bonds, forming supramolecular tapes along [100] that are linked into a three-dimensional network by C—H...π interactions, as well as by the aforementioned π–π interactions.

Details

Language :
English
ISSN :
16005368
Volume :
70
Issue :
11
Database :
Directory of Open Access Journals
Journal :
Acta Crystallographica Section E
Publication Type :
Academic Journal
Accession number :
edsdoj.66aeb8a12fc4233acc94a2cde3769da
Document Type :
article
Full Text :
https://doi.org/10.1107/S1600536814023678