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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...

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Autores principales: Chia, Tze Shyang, Kwong, Huey Chong, Wong, Qin Ai, Quah, Ching Kheng, Arafath, Md. Azharul
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2019
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.
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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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