Crystal structure of 3-(hydroxymethyl)chromone

Crystal structure of 3-(hydroxymethyl)chromone

In the title compound, C10H8O3 (systematic name 3-hydroxymethyl-4H-chromen-4-one), the fused-ring system is slightly puckered [dihedral angle between the rings = 3.84 (11)°]. The hydroxy O atom deviates from the heterocyclic ring by 1.422 (1) Å. In the crystal, inversion dimers linked by pairs of O—...

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Main Author: Yoshinobu Ishikawa
Format: Article
Language:English
Published: International Union of Crystallography 2015-07-01
Series:Acta Crystallographica Section E: Crystallographic Communications
Subjects:
crystal structure
chromone
hydrogen bonding
π–π stacking
Online Access:http://scripts.iucr.org/cgi-bin/paper?S2056989015011627
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spelling doaj-3fec1abd1335447b8a5927aef2d57a6d2020-11-24T21:57:35ZengInternational Union of CrystallographyActa Crystallographica Section E: Crystallographic Communications2056-98902015-07-01717o495o49510.1107/S2056989015011627hb7444Crystal structure of 3-(hydroxymethyl)chromoneYoshinobu Ishikawa0School of Pharmaceutical Sciences, University of Shizuoka, 52-1 Yada, Suruga-ku, Shizuoka 422-8526, JapanIn the title compound, C10H8O3 (systematic name 3-hydroxymethyl-4H-chromen-4-one), the fused-ring system is slightly puckered [dihedral angle between the rings = 3.84 (11)°]. The hydroxy O atom deviates from the heterocyclic ring by 1.422 (1) Å. In the crystal, inversion dimers linked by pairs of O—H...O hydrogen bonds generate R22(12) loops. The dimers are linked by aromatic π–π stacking [shortest centroid–centroid distance = 3.580 (3) Å], and C—H...O hydrogen bonds, generating a three-dimensional network.http://scripts.iucr.org/cgi-bin/paper?S2056989015011627crystal structurechromonehydrogen bondingπ–π stacking
collection DOAJ
language English
format Article
sources DOAJ
author Yoshinobu Ishikawa
spellingShingle Yoshinobu Ishikawa
Crystal structure of 3-(hydroxymethyl)chromone
Acta Crystallographica Section E: Crystallographic Communications
crystal structure
chromone
hydrogen bonding
π–π stacking
author_facet Yoshinobu Ishikawa
author_sort Yoshinobu Ishikawa
title Crystal structure of 3-(hydroxymethyl)chromone
title_short Crystal structure of 3-(hydroxymethyl)chromone
title_full Crystal structure of 3-(hydroxymethyl)chromone
title_fullStr Crystal structure of 3-(hydroxymethyl)chromone
title_full_unstemmed Crystal structure of 3-(hydroxymethyl)chromone
title_sort crystal structure of 3-(hydroxymethyl)chromone
publisher International Union of Crystallography
series Acta Crystallographica Section E: Crystallographic Communications
issn 2056-9890
publishDate 2015-07-01
description In the title compound, C10H8O3 (systematic name 3-hydroxymethyl-4H-chromen-4-one), the fused-ring system is slightly puckered [dihedral angle between the rings = 3.84 (11)°]. The hydroxy O atom deviates from the heterocyclic ring by 1.422 (1) Å. In the crystal, inversion dimers linked by pairs of O—H...O hydrogen bonds generate R22(12) loops. The dimers are linked by aromatic π–π stacking [shortest centroid–centroid distance = 3.580 (3) Å], and C—H...O hydrogen bonds, generating a three-dimensional network.
topic crystal structure
chromone
hydrogen bonding
π–π stacking
url http://scripts.iucr.org/cgi-bin/paper?S2056989015011627
work_keys_str_mv AT yoshinobuishikawa crystalstructureof3hydroxymethylchromone
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