3-Acetoxy-2-naphthoic acid

In the title compound, C13H10O4, an analog of acetylsalicylic acid, the naphthalene unit is twisted slightly due to ortho disubstitution [dihedral angle between conjugated rings system in the naphthalene unit = 2.0 (2)°]. The mean planes of the carboxylic and ester groups...

Full description

Bibliographic Details
Main Authors: Bruno S. Souza, Ramon Vitto, Faruk Nome, Anthony J. Kirby, Adailton J. Bortoluzzi
Format: Article
Language:English
Published: International Union of Crystallography 2010-11-01
Series:Acta Crystallographica Section E
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600536810040365
id doaj-da8497b8d1db46bfbb51f36407d2a1a0
record_format Article
spelling doaj-da8497b8d1db46bfbb51f36407d2a1a02020-11-25T01:15:20ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682010-11-016611o2848o284810.1107/S16005368100403653-Acetoxy-2-naphthoic acidBruno S. SouzaRamon VittoFaruk NomeAnthony J. KirbyAdailton J. BortoluzziIn the title compound, C13H10O4, an analog of acetylsalicylic acid, the naphthalene unit is twisted slightly due to ortho disubstitution [dihedral angle between conjugated rings system in the naphthalene unit = 2.0 (2)°]. The mean planes of the carboxylic and ester groups are almost coplanar and perpendicular, respectively, to the mean plane of the conjugated aromatic system, making dihedral angles of 8.9 (3) and 89.3 (1)°. In the crystal, molecules are paired through their carboxylic groups by the typical centrosymmetric O—H...O interactions with R22(8) hydrogen-bond motifs. In addition, several weak C—H...O intermolecular contacts are also observed. Finally, the molecules are stacked along crystallographic [100] and [010] directions. http://scripts.iucr.org/cgi-bin/paper?S1600536810040365
collection DOAJ
language English
format Article
sources DOAJ
author Bruno S. Souza
Ramon Vitto
Faruk Nome
Anthony J. Kirby
Adailton J. Bortoluzzi
spellingShingle Bruno S. Souza
Ramon Vitto
Faruk Nome
Anthony J. Kirby
Adailton J. Bortoluzzi
3-Acetoxy-2-naphthoic acid
Acta Crystallographica Section E
author_facet Bruno S. Souza
Ramon Vitto
Faruk Nome
Anthony J. Kirby
Adailton J. Bortoluzzi
author_sort Bruno S. Souza
title 3-Acetoxy-2-naphthoic acid
title_short 3-Acetoxy-2-naphthoic acid
title_full 3-Acetoxy-2-naphthoic acid
title_fullStr 3-Acetoxy-2-naphthoic acid
title_full_unstemmed 3-Acetoxy-2-naphthoic acid
title_sort 3-acetoxy-2-naphthoic acid
publisher International Union of Crystallography
series Acta Crystallographica Section E
issn 1600-5368
publishDate 2010-11-01
description In the title compound, C13H10O4, an analog of acetylsalicylic acid, the naphthalene unit is twisted slightly due to ortho disubstitution [dihedral angle between conjugated rings system in the naphthalene unit = 2.0 (2)°]. The mean planes of the carboxylic and ester groups are almost coplanar and perpendicular, respectively, to the mean plane of the conjugated aromatic system, making dihedral angles of 8.9 (3) and 89.3 (1)°. In the crystal, molecules are paired through their carboxylic groups by the typical centrosymmetric O—H...O interactions with R22(8) hydrogen-bond motifs. In addition, several weak C—H...O intermolecular contacts are also observed. Finally, the molecules are stacked along crystallographic [100] and [010] directions.
url http://scripts.iucr.org/cgi-bin/paper?S1600536810040365
work_keys_str_mv AT brunossouza 3acetoxy2naphthoicacid
AT ramonvitto 3acetoxy2naphthoicacid
AT faruknome 3acetoxy2naphthoicacid
AT anthonyjkirby 3acetoxy2naphthoicacid
AT adailtonjbortoluzzi 3acetoxy2naphthoicacid
_version_ 1725153925283184640