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...
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International Union of Crystallography
2010-11-01
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Series: | Acta Crystallographica Section E |
Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536810040365 |
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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 |
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