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A new polymorph of 2-(2H-benzotriazol-2-yl)acetic acid

A new polymorph of 2-(benzotriazol-2-yl)acetic acid, C(8)H(7)N(3)O(2), crystallizes in the space group C2/c (Z = 8). The non-planar mol­ecule has a synplanar conformation of the carb­oxy group. The crystal structure features helices parallel to the b axis sustained by O—H⋯N hydrogen bonding which ar...

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Autores principales: Alieva, Guloy, Ashurov, Jamshid, Mukhamedov, Nasir, Parpiev, Nusrat
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3470195/
https://www.ncbi.nlm.nih.gov/pubmed/23125639
http://dx.doi.org/10.1107/S1600536812036768
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author Alieva, Guloy
Ashurov, Jamshid
Mukhamedov, Nasir
Parpiev, Nusrat
author_facet Alieva, Guloy
Ashurov, Jamshid
Mukhamedov, Nasir
Parpiev, Nusrat
author_sort Alieva, Guloy
collection PubMed
description A new polymorph of 2-(benzotriazol-2-yl)acetic acid, C(8)H(7)N(3)O(2), crystallizes in the space group C2/c (Z = 8). The non-planar mol­ecule has a synplanar conformation of the carb­oxy group. The crystal structure features helices parallel to the b axis sustained by O—H⋯N hydrogen bonding which are similar to those in the known polymorph [Giordano & Zagari (1978 ▶). J. Chem. Soc. Perkin Trans. 2, pp. 312–315]. However, in the title structure, columns are formed by π–π stacking inter­actions between benzotriazole fragments of centrosymmetrically related adjacent mol­ecules [centroid-centroid distances = 3.593 (10) and 3.381 (10) Å] whereas π–π stacking inter­actions are not observed in the other polymorph. In the crystal of the title compound, C—H⋯O inter­actions are also observed.
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spelling pubmed-34701952012-11-02 A new polymorph of 2-(2H-benzotriazol-2-yl)acetic acid Alieva, Guloy Ashurov, Jamshid Mukhamedov, Nasir Parpiev, Nusrat Acta Crystallogr Sect E Struct Rep Online Organic Papers A new polymorph of 2-(benzotriazol-2-yl)acetic acid, C(8)H(7)N(3)O(2), crystallizes in the space group C2/c (Z = 8). The non-planar mol­ecule has a synplanar conformation of the carb­oxy group. The crystal structure features helices parallel to the b axis sustained by O—H⋯N hydrogen bonding which are similar to those in the known polymorph [Giordano & Zagari (1978 ▶). J. Chem. Soc. Perkin Trans. 2, pp. 312–315]. However, in the title structure, columns are formed by π–π stacking inter­actions between benzotriazole fragments of centrosymmetrically related adjacent mol­ecules [centroid-centroid distances = 3.593 (10) and 3.381 (10) Å] whereas π–π stacking inter­actions are not observed in the other polymorph. In the crystal of the title compound, C—H⋯O inter­actions are also observed. International Union of Crystallography 2012-09-01 /pmc/articles/PMC3470195/ /pubmed/23125639 http://dx.doi.org/10.1107/S1600536812036768 Text en © Alieva et al. 2012 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Alieva, Guloy
Ashurov, Jamshid
Mukhamedov, Nasir
Parpiev, Nusrat
A new polymorph of 2-(2H-benzotriazol-2-yl)acetic acid
title A new polymorph of 2-(2H-benzotriazol-2-yl)acetic acid
title_full A new polymorph of 2-(2H-benzotriazol-2-yl)acetic acid
title_fullStr A new polymorph of 2-(2H-benzotriazol-2-yl)acetic acid
title_full_unstemmed A new polymorph of 2-(2H-benzotriazol-2-yl)acetic acid
title_short A new polymorph of 2-(2H-benzotriazol-2-yl)acetic acid
title_sort new polymorph of 2-(2h-benzotriazol-2-yl)acetic acid
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3470195/
https://www.ncbi.nlm.nih.gov/pubmed/23125639
http://dx.doi.org/10.1107/S1600536812036768
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