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Packing polymorphism in the crystal structure of 4,5-dimethoxy-2-nitrobenzyl acetate
The title compound, C(11)H(13)NO(6), shows two polymorphs, orange and yellow forms, both of which crystallize in the space group P2(1)/c. The molecular structures in the two polymorphs are essentially similar and adopt a planar structure, the maximum deviations for the non-H atoms being 0.1836 (13)...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4420102/ https://www.ncbi.nlm.nih.gov/pubmed/25995861 http://dx.doi.org/10.1107/S2056989015006714 |
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author | Kasuga, Noriko Chikaraishi Saito, Yusuke Sato, Hiroyasu Yamaguchi, Kazuo |
author_facet | Kasuga, Noriko Chikaraishi Saito, Yusuke Sato, Hiroyasu Yamaguchi, Kazuo |
author_sort | Kasuga, Noriko Chikaraishi |
collection | PubMed |
description | The title compound, C(11)H(13)NO(6), shows two polymorphs, orange and yellow forms, both of which crystallize in the space group P2(1)/c. The molecular structures in the two polymorphs are essentially similar and adopt a planar structure, the maximum deviations for the non-H atoms being 0.1836 (13) and 0.1276 (13) Å, respectively, for the orange and yellow forms. In the orange crystal, molecules are linked by an intermolecular C—H⋯O interaction into a helical chain along the b-axis direction. The chains are stacked along the c axis through a π–π interaction [centroid–centroid distance = 3.6087 (11) Å], forming a layer parallel to the bc plane. In the yellow crystal, molecules are connected through C—H⋯O interactions into a sheet structure parallel to (-302). No significant π–π interaction is observed. The unit-cell volume of the orange crystal is larger than that of the yellow one, and this accounts for the predominant growth of the yellow crystal. |
format | Online Article Text |
id | pubmed-4420102 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-44201022015-05-20 Packing polymorphism in the crystal structure of 4,5-dimethoxy-2-nitrobenzyl acetate Kasuga, Noriko Chikaraishi Saito, Yusuke Sato, Hiroyasu Yamaguchi, Kazuo Acta Crystallogr E Crystallogr Commun Research Communications The title compound, C(11)H(13)NO(6), shows two polymorphs, orange and yellow forms, both of which crystallize in the space group P2(1)/c. The molecular structures in the two polymorphs are essentially similar and adopt a planar structure, the maximum deviations for the non-H atoms being 0.1836 (13) and 0.1276 (13) Å, respectively, for the orange and yellow forms. In the orange crystal, molecules are linked by an intermolecular C—H⋯O interaction into a helical chain along the b-axis direction. The chains are stacked along the c axis through a π–π interaction [centroid–centroid distance = 3.6087 (11) Å], forming a layer parallel to the bc plane. In the yellow crystal, molecules are connected through C—H⋯O interactions into a sheet structure parallel to (-302). No significant π–π interaction is observed. The unit-cell volume of the orange crystal is larger than that of the yellow one, and this accounts for the predominant growth of the yellow crystal. International Union of Crystallography 2015-04-11 /pmc/articles/PMC4420102/ /pubmed/25995861 http://dx.doi.org/10.1107/S2056989015006714 Text en © Kasuga et al. 2015 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 Kasuga, Noriko Chikaraishi Saito, Yusuke Sato, Hiroyasu Yamaguchi, Kazuo Packing polymorphism in the crystal structure of 4,5-dimethoxy-2-nitrobenzyl acetate |
title | Packing polymorphism in the crystal structure of 4,5-dimethoxy-2-nitrobenzyl acetate |
title_full | Packing polymorphism in the crystal structure of 4,5-dimethoxy-2-nitrobenzyl acetate |
title_fullStr | Packing polymorphism in the crystal structure of 4,5-dimethoxy-2-nitrobenzyl acetate |
title_full_unstemmed | Packing polymorphism in the crystal structure of 4,5-dimethoxy-2-nitrobenzyl acetate |
title_short | Packing polymorphism in the crystal structure of 4,5-dimethoxy-2-nitrobenzyl acetate |
title_sort | packing polymorphism in the crystal structure of 4,5-dimethoxy-2-nitrobenzyl acetate |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4420102/ https://www.ncbi.nlm.nih.gov/pubmed/25995861 http://dx.doi.org/10.1107/S2056989015006714 |
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