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Crystal structure of a second monoclinic polymorph of 3-methoxybenzoic acid with Z′ = 1
A new polymorphic form of the title compound, C(8)H(8)O(3), is described in the centrosymmetric monoclinic space group P2(1)/c with Z′ = 1 as compared to the first polymorph, which crystallizes with two conformers (Z′ = 2) in the asymmetric unit in the same space group. In the crystal of the second...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2019
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6323879/ https://www.ncbi.nlm.nih.gov/pubmed/30713724 http://dx.doi.org/10.1107/S2056989018016900 |
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author | Chia, Tze Shyang Kwong, Huey Chong Wong, Qin Ai Quah, Ching Kheng Arafath, Md. Azharul |
author_facet | Chia, Tze Shyang Kwong, Huey Chong Wong, Qin Ai Quah, Ching Kheng Arafath, Md. Azharul |
author_sort | Chia, Tze Shyang |
collection | PubMed |
description | A new polymorphic form of the title compound, C(8)H(8)O(3), is described in the centrosymmetric monoclinic space group P2(1)/c with Z′ = 1 as compared to the first polymorph, which crystallizes with two conformers (Z′ = 2) in the asymmetric unit in the same space group. In the crystal of the second polymorph, inversion dimers linked by O—H⋯O hydrogen bonds occur and these are linked into zigzag chains, propagating along the b-axis direction by C—H⋯O links. The crystal structure also features a weak π–π interaction, with a centroid-to-centroid distance of 3.8018 (6) Å. The second polymorph of the title compound is less stable than the reported first polymorph, as indicated by its smaller calculated lattice energy. |
format | Online Article Text |
id | pubmed-6323879 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2019 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-63238792019-02-01 Crystal structure of a second monoclinic polymorph of 3-methoxybenzoic acid with Z′ = 1 Chia, Tze Shyang Kwong, Huey Chong Wong, Qin Ai Quah, Ching Kheng Arafath, Md. Azharul Acta Crystallogr E Crystallogr Commun Research Communications A new polymorphic form of the title compound, C(8)H(8)O(3), is described in the centrosymmetric monoclinic space group P2(1)/c with Z′ = 1 as compared to the first polymorph, which crystallizes with two conformers (Z′ = 2) in the asymmetric unit in the same space group. In the crystal of the second polymorph, inversion dimers linked by O—H⋯O hydrogen bonds occur and these are linked into zigzag chains, propagating along the b-axis direction by C—H⋯O links. The crystal structure also features a weak π–π interaction, with a centroid-to-centroid distance of 3.8018 (6) Å. The second polymorph of the title compound is less stable than the reported first polymorph, as indicated by its smaller calculated lattice energy. International Union of Crystallography 2019-01-01 /pmc/articles/PMC6323879/ /pubmed/30713724 http://dx.doi.org/10.1107/S2056989018016900 Text en © Chia et al. 2019 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/2.0/uk/ |
spellingShingle | Research Communications Chia, Tze Shyang Kwong, Huey Chong Wong, Qin Ai Quah, Ching Kheng Arafath, Md. Azharul Crystal structure of a second monoclinic polymorph of 3-methoxybenzoic acid with Z′ = 1 |
title | Crystal structure of a second monoclinic polymorph of 3-methoxybenzoic acid with Z′ = 1 |
title_full | Crystal structure of a second monoclinic polymorph of 3-methoxybenzoic acid with Z′ = 1 |
title_fullStr | Crystal structure of a second monoclinic polymorph of 3-methoxybenzoic acid with Z′ = 1 |
title_full_unstemmed | Crystal structure of a second monoclinic polymorph of 3-methoxybenzoic acid with Z′ = 1 |
title_short | Crystal structure of a second monoclinic polymorph of 3-methoxybenzoic acid with Z′ = 1 |
title_sort | crystal structure of a second monoclinic polymorph of 3-methoxybenzoic acid with z′ = 1 |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6323879/ https://www.ncbi.nlm.nih.gov/pubmed/30713724 http://dx.doi.org/10.1107/S2056989018016900 |
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