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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)...

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Autores principales: Kasuga, Noriko Chikaraishi, Saito, Yusuke, Sato, Hiroyasu, Yamaguchi, Kazuo
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
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.
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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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