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Crystal structure of 2-methoxy-1-nitronaphthalene
The asymmetric unit of the title compound, C(11)H(9)NO(3), contains two molecules, A and B. In molecule A, the dihedral angle between the planes of the naphthalene ring system (r.m.s. deviation = 0.003 Å) and the nitro group is 89.9 (2)°, and the C atom of the methoxy group deviates from the naph...
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/PMC4647346/ https://www.ncbi.nlm.nih.gov/pubmed/26594431 http://dx.doi.org/10.1107/S2056989015016114 |
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author | Yassine, Hasna Khouili, Mostafa El Ammari, Lahcen Saadi, Mohamed Ketatni, El Mostafa |
author_facet | Yassine, Hasna Khouili, Mostafa El Ammari, Lahcen Saadi, Mohamed Ketatni, El Mostafa |
author_sort | Yassine, Hasna |
collection | PubMed |
description | The asymmetric unit of the title compound, C(11)H(9)NO(3), contains two molecules, A and B. In molecule A, the dihedral angle between the planes of the naphthalene ring system (r.m.s. deviation = 0.003 Å) and the nitro group is 89.9 (2)°, and the C atom of the methoxy group deviates from the naphthyl plane by 0.022 (2) Å. Equivalent data for molecule B are 0.008 Å, 65.9 (2)° and −0.198 (2) Å, respectively. In the crystal, molecules are linked by weak C—H⋯O interactions, forming [100] chains of alternating A and B molecules. Weak aromatic π–π stacking contacts, with a range of centroid–centroid distances from 3.5863 (9) to 3.8048 (9) Å, are also observed. |
format | Online Article Text |
id | pubmed-4647346 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-46473462015-11-20 Crystal structure of 2-methoxy-1-nitronaphthalene Yassine, Hasna Khouili, Mostafa El Ammari, Lahcen Saadi, Mohamed Ketatni, El Mostafa Acta Crystallogr E Crystallogr Commun Data Reports The asymmetric unit of the title compound, C(11)H(9)NO(3), contains two molecules, A and B. In molecule A, the dihedral angle between the planes of the naphthalene ring system (r.m.s. deviation = 0.003 Å) and the nitro group is 89.9 (2)°, and the C atom of the methoxy group deviates from the naphthyl plane by 0.022 (2) Å. Equivalent data for molecule B are 0.008 Å, 65.9 (2)° and −0.198 (2) Å, respectively. In the crystal, molecules are linked by weak C—H⋯O interactions, forming [100] chains of alternating A and B molecules. Weak aromatic π–π stacking contacts, with a range of centroid–centroid distances from 3.5863 (9) to 3.8048 (9) Å, are also observed. International Union of Crystallography 2015-09-12 /pmc/articles/PMC4647346/ /pubmed/26594431 http://dx.doi.org/10.1107/S2056989015016114 Text en © Yassine 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 Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
spellingShingle | Data Reports Yassine, Hasna Khouili, Mostafa El Ammari, Lahcen Saadi, Mohamed Ketatni, El Mostafa Crystal structure of 2-methoxy-1-nitronaphthalene |
title | Crystal structure of 2-methoxy-1-nitronaphthalene |
title_full | Crystal structure of 2-methoxy-1-nitronaphthalene |
title_fullStr | Crystal structure of 2-methoxy-1-nitronaphthalene |
title_full_unstemmed | Crystal structure of 2-methoxy-1-nitronaphthalene |
title_short | Crystal structure of 2-methoxy-1-nitronaphthalene |
title_sort | crystal structure of 2-methoxy-1-nitronaphthalene |
topic | Data Reports |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4647346/ https://www.ncbi.nlm.nih.gov/pubmed/26594431 http://dx.doi.org/10.1107/S2056989015016114 |
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