1,3-Bis(chloro­meth­yl)-2-methyl-5-nitro­benzene

The title compound, C(9)H(9)Cl(2)NO(2), is a natural product isolated from the endophytic fungus No. B77 of the mangrove tree from the South China Sea coast. In the crystal structure, the mol­ecules lie on twofold axes and form offset stacks through face-to-face π–π inter­actions. Adjacent mol­ecule...

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Autores principales: Shao, Chang-Lun, Li, Chunyuan, Liu, Zhen, Wei, Mei-Yan, Wang, Chang-Yun
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2008
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2960992/
https://www.ncbi.nlm.nih.gov/pubmed/21202121
http://dx.doi.org/10.1107/S1600536808007290
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author Shao, Chang-Lun
Li, Chunyuan
Liu, Zhen
Wei, Mei-Yan
Wang, Chang-Yun
author_facet Shao, Chang-Lun
Li, Chunyuan
Liu, Zhen
Wei, Mei-Yan
Wang, Chang-Yun
author_sort Shao, Chang-Lun
collection PubMed
description The title compound, C(9)H(9)Cl(2)NO(2), is a natural product isolated from the endophytic fungus No. B77 of the mangrove tree from the South China Sea coast. In the crystal structure, the mol­ecules lie on twofold axes and form offset stacks through face-to-face π–π inter­actions. Adjacent mol­ecules in each stack are related by a centre of inversion and have an inter­planar separation of 3.53 (1) Å, with a centroid–centroid distance of 3.76 (1) Å. Between stacks, there are C—H⋯O inter­actions to the nitro groups and Cl⋯Cl contacts of 3.462 (1) Å.
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spelling pubmed-29609922010-12-30 1,3-Bis(chloro­meth­yl)-2-methyl-5-nitro­benzene Shao, Chang-Lun Li, Chunyuan Liu, Zhen Wei, Mei-Yan Wang, Chang-Yun Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(9)H(9)Cl(2)NO(2), is a natural product isolated from the endophytic fungus No. B77 of the mangrove tree from the South China Sea coast. In the crystal structure, the mol­ecules lie on twofold axes and form offset stacks through face-to-face π–π inter­actions. Adjacent mol­ecules in each stack are related by a centre of inversion and have an inter­planar separation of 3.53 (1) Å, with a centroid–centroid distance of 3.76 (1) Å. Between stacks, there are C—H⋯O inter­actions to the nitro groups and Cl⋯Cl contacts of 3.462 (1) Å. International Union of Crystallography 2008-03-20 /pmc/articles/PMC2960992/ /pubmed/21202121 http://dx.doi.org/10.1107/S1600536808007290 Text en © Shao et al. 2008 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
Shao, Chang-Lun
Li, Chunyuan
Liu, Zhen
Wei, Mei-Yan
Wang, Chang-Yun
1,3-Bis(chloro­meth­yl)-2-methyl-5-nitro­benzene
title 1,3-Bis(chloro­meth­yl)-2-methyl-5-nitro­benzene
title_full 1,3-Bis(chloro­meth­yl)-2-methyl-5-nitro­benzene
title_fullStr 1,3-Bis(chloro­meth­yl)-2-methyl-5-nitro­benzene
title_full_unstemmed 1,3-Bis(chloro­meth­yl)-2-methyl-5-nitro­benzene
title_short 1,3-Bis(chloro­meth­yl)-2-methyl-5-nitro­benzene
title_sort 1,3-bis(chloro­meth­yl)-2-methyl-5-nitro­benzene
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2960992/
https://www.ncbi.nlm.nih.gov/pubmed/21202121
http://dx.doi.org/10.1107/S1600536808007290
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AT wangchangyun 13bischloromethyl2methyl5nitrobenzene

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