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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...

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Detalles Bibliográficos
Autores principales: Fun, Hoong-Kun, Quah, Ching Kheng, Nithinchandra, Kalluraya, Balakrishna
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
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.
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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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