5-Nitro-1-benzofuran-2(3H)-one

In the crystal structure of the title compound, C(8)H(5)NO(4), essentially planar mol­ecules [largest deviation from the least-squares plane = 0.030 (2) Å] form stacks along the a-axis direction. Intercentroid separations between overlapping benzene rings within the stack are 3.6594 (12) Å and 3.813...

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Detalles Bibliográficos
Autores principales: Han, Xin-Yi, Shi, Ya-Bin, Shen, Hong, Bai, Shu-Yuan, Wang, Hai-Bo
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3393298/
https://www.ncbi.nlm.nih.gov/pubmed/22807855
http://dx.doi.org/10.1107/S1600536812025093
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author Han, Xin-Yi
Shi, Ya-Bin
Shen, Hong
Bai, Shu-Yuan
Wang, Hai-Bo
author_facet Han, Xin-Yi
Shi, Ya-Bin
Shen, Hong
Bai, Shu-Yuan
Wang, Hai-Bo
author_sort Han, Xin-Yi
collection PubMed
description In the crystal structure of the title compound, C(8)H(5)NO(4), essentially planar mol­ecules [largest deviation from the least-squares plane = 0.030 (2) Å] form stacks along the a-axis direction. Intercentroid separations between overlapping benzene rings within the stack are 3.6594 (12) Å and 3.8131 (12) Å. Mol­ecules from neighboring stacks are linked by weak C—H⋯O hydrogen bonds into inversion dimers.
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spelling pubmed-33932982012-07-17 5-Nitro-1-benzofuran-2(3H)-one Han, Xin-Yi Shi, Ya-Bin Shen, Hong Bai, Shu-Yuan Wang, Hai-Bo Acta Crystallogr Sect E Struct Rep Online Organic Papers In the crystal structure of the title compound, C(8)H(5)NO(4), essentially planar mol­ecules [largest deviation from the least-squares plane = 0.030 (2) Å] form stacks along the a-axis direction. Intercentroid separations between overlapping benzene rings within the stack are 3.6594 (12) Å and 3.8131 (12) Å. Mol­ecules from neighboring stacks are linked by weak C—H⋯O hydrogen bonds into inversion dimers. International Union of Crystallography 2012-06-13 /pmc/articles/PMC3393298/ /pubmed/22807855 http://dx.doi.org/10.1107/S1600536812025093 Text en © Han 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
Han, Xin-Yi
Shi, Ya-Bin
Shen, Hong
Bai, Shu-Yuan
Wang, Hai-Bo
5-Nitro-1-benzofuran-2(3H)-one
title 5-Nitro-1-benzofuran-2(3H)-one
title_full 5-Nitro-1-benzofuran-2(3H)-one
title_fullStr 5-Nitro-1-benzofuran-2(3H)-one
title_full_unstemmed 5-Nitro-1-benzofuran-2(3H)-one
title_short 5-Nitro-1-benzofuran-2(3H)-one
title_sort 5-nitro-1-benzofuran-2(3h)-one
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3393298/
https://www.ncbi.nlm.nih.gov/pubmed/22807855
http://dx.doi.org/10.1107/S1600536812025093
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AT wanghaibo 5nitro1benzofuran23hone

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