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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...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
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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. |
format | Online Article Text |
id | pubmed-3470195 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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