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3-(5-Nitro-2-furyl)-1-phenylprop-2-yn-1-one
In the title compound, C(13)H(7)NO(4), the 2-furyl ring is essentially planar, with a maximum deviation of 0.004 (1) Å. It is inclined at an angle of 11.69 (4)° to the benzene ring. The nitro group is slightly twisted out of the plane of the 2-furyl ring, with a dihedral angle of 5.72 (8)°. There is...
Autores principales: | , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2010
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3009355/ https://www.ncbi.nlm.nih.gov/pubmed/21589187 http://dx.doi.org/10.1107/S1600536810043850 |
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author | Fun, Hoong-Kun Quah, Ching Kheng Nithinchandra, Kalluraya, Balakrishna |
author_facet | Fun, Hoong-Kun Quah, Ching Kheng Nithinchandra, Kalluraya, Balakrishna |
author_sort | Fun, Hoong-Kun |
collection | PubMed |
description | In the title compound, C(13)H(7)NO(4), the 2-furyl ring is essentially planar, with a maximum deviation of 0.004 (1) Å. It is inclined at an angle of 11.69 (4)° to the benzene ring. The nitro group is slightly twisted out of the plane of the 2-furyl ring, with a dihedral angle of 5.72 (8)°. There is a short O⋯C contact of 2.8562 (8) Å (symmetry code: −x, −y, 2 − z). In the crystal packing, molecules are linked via a pair of intermolecular C—H⋯O hydrogen bonds, giving rise to an R (2) (2)(10) ring motif. Molecules are further linked into two-dimensional networks parallel to [100] via other intermolecular C—H⋯O hydrogen bonds. The crystal structure is consolidated by C—H⋯π interactions. |
format | Text |
id | pubmed-3009355 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2010 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-30093552010-12-30 3-(5-Nitro-2-furyl)-1-phenylprop-2-yn-1-one Fun, Hoong-Kun Quah, Ching Kheng Nithinchandra, Kalluraya, Balakrishna Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(13)H(7)NO(4), the 2-furyl ring is essentially planar, with a maximum deviation of 0.004 (1) Å. It is inclined at an angle of 11.69 (4)° to the benzene ring. The nitro group is slightly twisted out of the plane of the 2-furyl ring, with a dihedral angle of 5.72 (8)°. There is a short O⋯C contact of 2.8562 (8) Å (symmetry code: −x, −y, 2 − z). In the crystal packing, molecules are linked via a pair of intermolecular C—H⋯O hydrogen bonds, giving rise to an R (2) (2)(10) ring motif. Molecules are further linked into two-dimensional networks parallel to [100] via other intermolecular C—H⋯O hydrogen bonds. The crystal structure is consolidated by C—H⋯π interactions. International Union of Crystallography 2010-10-31 /pmc/articles/PMC3009355/ /pubmed/21589187 http://dx.doi.org/10.1107/S1600536810043850 Text en © Fun et al. 2010 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 Fun, Hoong-Kun Quah, Ching Kheng Nithinchandra, Kalluraya, Balakrishna 3-(5-Nitro-2-furyl)-1-phenylprop-2-yn-1-one |
title | 3-(5-Nitro-2-furyl)-1-phenylprop-2-yn-1-one |
title_full | 3-(5-Nitro-2-furyl)-1-phenylprop-2-yn-1-one |
title_fullStr | 3-(5-Nitro-2-furyl)-1-phenylprop-2-yn-1-one |
title_full_unstemmed | 3-(5-Nitro-2-furyl)-1-phenylprop-2-yn-1-one |
title_short | 3-(5-Nitro-2-furyl)-1-phenylprop-2-yn-1-one |
title_sort | 3-(5-nitro-2-furyl)-1-phenylprop-2-yn-1-one |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3009355/ https://www.ncbi.nlm.nih.gov/pubmed/21589187 http://dx.doi.org/10.1107/S1600536810043850 |
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