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

The title compound, C9H7NO3, crystallizes in the monoclinic (P21) 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...

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Autores principales:	Alexandre Poirot, Nathalie Saffon-Merceron, Nadine Leygue, Eric Benoist, Suzanne Fery-Forgues
Formato:	article
Lenguaje:	EN
Publicado:	International Union of Crystallography 2021
Materias:	crystal structure benzoxazole herringbone arrangement γ packing type π–π interactions strong c—h...n hydrogen bonds Chemistry QD1-999
Acceso en línea:	https://doaj.org/article/22763c6427a24c46a593265f1f65983b
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id	oai:doaj.org-article:22763c6427a24c46a593265f1f65983b
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spelling	oai:doaj.org-article:22763c6427a24c46a593265f1f65983b2021-11-12T11:16:09ZCrystal structure of methyl 1,3-benzoxazole-2-carboxylate2056-989010.1107/S2056989021010094https://doaj.org/article/22763c6427a24c46a593265f1f65983b2021-11-01T00:00:00Zhttp://scripts.iucr.org/cgi-bin/paper?S2056989021010094https://doaj.org/toc/2056-9890The title compound, C9H7NO3, crystallizes in the monoclinic (P21) 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.Alexandre PoirotNathalie Saffon-MerceronNadine LeygueEric BenoistSuzanne Fery-ForguesInternational Union of Crystallographyarticlecrystal structurebenzoxazoleherringbone arrangementγ packing typeπ–π interactionsstrong c—h...n hydrogen bondsChemistryQD1-999ENActa Crystallographica Section E: Crystallographic Communications, Vol 77, Iss 11, Pp 1078-1081 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	crystal structure benzoxazole herringbone arrangement γ packing type π–π interactions strong c—h...n hydrogen bonds Chemistry QD1-999
spellingShingle	crystal structure benzoxazole herringbone arrangement γ packing type π–π interactions strong c—h...n hydrogen bonds Chemistry QD1-999 Alexandre Poirot Nathalie Saffon-Merceron Nadine Leygue Eric Benoist Suzanne Fery-Forgues Crystal structure of methyl 1,3-benzoxazole-2-carboxylate
description	The title compound, C9H7NO3, crystallizes in the monoclinic (P21) 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.
format	article
author	Alexandre Poirot Nathalie Saffon-Merceron Nadine Leygue Eric Benoist Suzanne Fery-Forgues
author_facet	Alexandre Poirot Nathalie Saffon-Merceron Nadine Leygue Eric Benoist Suzanne Fery-Forgues
author_sort	Alexandre Poirot
title	Crystal structure of methyl 1,3-benzoxazole-2-carboxylate
title_short	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_sort	crystal structure of methyl 1,3-benzoxazole-2-carboxylate
publisher	International Union of Crystallography
publishDate	2021
url	https://doaj.org/article/22763c6427a24c46a593265f1f65983b
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_version_	1718430606277214208

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

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