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7-Bromo-2-phenyl-1-(phenyl­sulfin­yl)naphtho[2,1-b]furan benzene hemisolvate

The title compound, C(24)H(15)BrO(2)S·0.5C(6)H(6), crystallizes as a benzene hemisolvate. The O atom and the phenyl group of the phenyl­sulfinyl substituent lie on opposite sides of the plane of the naphthofuran fragment, and the phenyl ring is almost perpendicular to the plane of the naphthofuran f...

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Autores principales: Choi, Hong Dae, Seo, Pil Ja, Son, Byeng Wha, Lee, Uk
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2977353/
https://www.ncbi.nlm.nih.gov/pubmed/21583515
http://dx.doi.org/10.1107/S1600536809025860
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author Choi, Hong Dae
Seo, Pil Ja
Son, Byeng Wha
Lee, Uk
author_facet Choi, Hong Dae
Seo, Pil Ja
Son, Byeng Wha
Lee, Uk
author_sort Choi, Hong Dae
collection PubMed
description The title compound, C(24)H(15)BrO(2)S·0.5C(6)H(6), crystallizes as a benzene hemisolvate. The O atom and the phenyl group of the phenyl­sulfinyl substituent lie on opposite sides of the plane of the naphthofuran fragment, and the phenyl ring is almost perpendicular to the plane of the naphthofuran fragment [83.78 (8)°] and is tilted slightly towards it. The 2-phenyl ring is rotated out of the naphthofuran plane by a dihedral angle of 25.2 (1)°. The crystal structure is stabilized by aromatic π–π inter­actions between the central benzene ring and the furan ring of the neighbouring naphthofuran systems [centroid–centroid distance = 3.611 (3) Å], and by inter­molecular C—H⋯π inter­actions between the benzene H atom of the phenyl­sulfinyl substituent and the 2-phenyl ring of an adjacent mol­ecule. In addition, the crystal structure exhibits a weak non-classical inter­molecular C—H⋯O hydrogen bond.
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spelling pubmed-29773532010-12-30 7-Bromo-2-phenyl-1-(phenyl­sulfin­yl)naphtho[2,1-b]furan benzene hemisolvate Choi, Hong Dae Seo, Pil Ja Son, Byeng Wha Lee, Uk Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(24)H(15)BrO(2)S·0.5C(6)H(6), crystallizes as a benzene hemisolvate. The O atom and the phenyl group of the phenyl­sulfinyl substituent lie on opposite sides of the plane of the naphthofuran fragment, and the phenyl ring is almost perpendicular to the plane of the naphthofuran fragment [83.78 (8)°] and is tilted slightly towards it. The 2-phenyl ring is rotated out of the naphthofuran plane by a dihedral angle of 25.2 (1)°. The crystal structure is stabilized by aromatic π–π inter­actions between the central benzene ring and the furan ring of the neighbouring naphthofuran systems [centroid–centroid distance = 3.611 (3) Å], and by inter­molecular C—H⋯π inter­actions between the benzene H atom of the phenyl­sulfinyl substituent and the 2-phenyl ring of an adjacent mol­ecule. In addition, the crystal structure exhibits a weak non-classical inter­molecular C—H⋯O hydrogen bond. International Union of Crystallography 2009-07-11 /pmc/articles/PMC2977353/ /pubmed/21583515 http://dx.doi.org/10.1107/S1600536809025860 Text en © Choi et al. 2009 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
Choi, Hong Dae
Seo, Pil Ja
Son, Byeng Wha
Lee, Uk
7-Bromo-2-phenyl-1-(phenyl­sulfin­yl)naphtho[2,1-b]furan benzene hemisolvate
title 7-Bromo-2-phenyl-1-(phenyl­sulfin­yl)naphtho[2,1-b]furan benzene hemisolvate
title_full 7-Bromo-2-phenyl-1-(phenyl­sulfin­yl)naphtho[2,1-b]furan benzene hemisolvate
title_fullStr 7-Bromo-2-phenyl-1-(phenyl­sulfin­yl)naphtho[2,1-b]furan benzene hemisolvate
title_full_unstemmed 7-Bromo-2-phenyl-1-(phenyl­sulfin­yl)naphtho[2,1-b]furan benzene hemisolvate
title_short 7-Bromo-2-phenyl-1-(phenyl­sulfin­yl)naphtho[2,1-b]furan benzene hemisolvate
title_sort 7-bromo-2-phenyl-1-(phenyl­sulfin­yl)naphtho[2,1-b]furan benzene hemisolvate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2977353/
https://www.ncbi.nlm.nih.gov/pubmed/21583515
http://dx.doi.org/10.1107/S1600536809025860
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