Crystal structure of methyl 1,3-benzoxazole-2-carboxyl­ate

The title compound, C(9)H(7)NO(3), crystallizes in the monoclinic (P2(1)) space group. In the crystal, the almost planar mol­ecules display a flattened herringbone arrangement. Stacking mol­ecules are slipped in the lengthwise and widthwise directions and are linked by π–π inter­actions [d(Cg⋯Cg = 3...

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Autores principales: Poirot, Alexandre, Saffon-Merceron, Nathalie, Leygue, Nadine, Benoist, Eric, Fery-Forgues, Suzanne
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2021
Materias:
Research Communications
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8587983/
https://www.ncbi.nlm.nih.gov/pubmed/34868639
http://dx.doi.org/10.1107/S2056989021010094
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author Poirot, Alexandre
Saffon-Merceron, Nathalie
Leygue, Nadine
Benoist, Eric
Fery-Forgues, Suzanne
author_facet Poirot, Alexandre
Saffon-Merceron, Nathalie
Leygue, Nadine
Benoist, Eric
Fery-Forgues, Suzanne
author_sort Poirot, Alexandre
collection PubMed
description The title compound, C(9)H(7)NO(3), crystallizes in the monoclinic (P2(1)) space group. In the crystal, the almost planar mol­ecules display a flattened herringbone arrangement. Stacking mol­ecules are slipped in the lengthwise and widthwise directions and are linked by π–π inter­actions [d(Cg⋯Cg = 3.6640 (11) Å]. The structure is characterized by strong C—H⋯N and weak C—H⋯O hydrogen bonds, and further stabilized by C–O⋯π inter­actions.
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spelling pubmed-85879832021-12-02 Crystal structure of methyl 1,3-benzoxazole-2-carboxyl­ate Poirot, Alexandre Saffon-Merceron, Nathalie Leygue, Nadine Benoist, Eric Fery-Forgues, Suzanne Acta Crystallogr E Crystallogr Commun Research Communications The title compound, C(9)H(7)NO(3), crystallizes in the monoclinic (P2(1)) space group. In the crystal, the almost planar mol­ecules display a flattened herringbone arrangement. Stacking mol­ecules are slipped in the lengthwise and widthwise directions and are linked by π–π inter­actions [d(Cg⋯Cg = 3.6640 (11) Å]. The structure is characterized by strong C—H⋯N and weak C—H⋯O hydrogen bonds, and further stabilized by C–O⋯π inter­actions. International Union of Crystallography 2021-10-08 /pmc/articles/PMC8587983/ /pubmed/34868639 http://dx.doi.org/10.1107/S2056989021010094 Text en © Poirot et al. 2021 https://creativecommons.org/licenses/by/4.0/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.
spellingShingle Research Communications
Poirot, Alexandre
Saffon-Merceron, Nathalie
Leygue, Nadine
Benoist, Eric
Fery-Forgues, Suzanne
Crystal structure of methyl 1,3-benzoxazole-2-carboxyl­ate
title Crystal structure of methyl 1,3-benzoxazole-2-carboxyl­ate
title_full Crystal structure of methyl 1,3-benzoxazole-2-carboxyl­ate
title_fullStr Crystal structure of methyl 1,3-benzoxazole-2-carboxyl­ate
title_full_unstemmed Crystal structure of methyl 1,3-benzoxazole-2-carboxyl­ate
title_short Crystal structure of methyl 1,3-benzoxazole-2-carboxyl­ate
title_sort crystal structure of methyl 1,3-benzoxazole-2-carboxyl­ate
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8587983/
https://www.ncbi.nlm.nih.gov/pubmed/34868639
http://dx.doi.org/10.1107/S2056989021010094
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