Dimethyl 1-(3-hy­droxy-2-iodo-1-phenyl­prop­yl)-1H-1,2,3-triazole-4,5-dicarboxyl­ate

In the title compound, C(15)H(16)IN(3)O(5), the central triazole ring is essentially planar (r.m.s deviation = 0.0034 Å) and makes a dihedral angle of 70.14 (5)° with the pendant benzene ring. The mean planes of the two meth­oxy­carbonyl groups make dihedral angles of 22.52 (7) and 40.93 (4)° with t...

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Autores principales: Fun, Hoong-Kun, Chia, Tze Shyang, Archana, Sivasubramanian, Dinesh, Murugan, Ponnuswamy, Alagusundaram
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3344657/
https://www.ncbi.nlm.nih.gov/pubmed/22590419
http://dx.doi.org/10.1107/S1600536812018193
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author Fun, Hoong-Kun
Chia, Tze Shyang
Archana, Sivasubramanian
Dinesh, Murugan
Ponnuswamy, Alagusundaram
author_facet Fun, Hoong-Kun
Chia, Tze Shyang
Archana, Sivasubramanian
Dinesh, Murugan
Ponnuswamy, Alagusundaram
author_sort Fun, Hoong-Kun
collection PubMed
description In the title compound, C(15)H(16)IN(3)O(5), the central triazole ring is essentially planar (r.m.s deviation = 0.0034 Å) and makes a dihedral angle of 70.14 (5)° with the pendant benzene ring. The mean planes of the two meth­oxy­carbonyl groups make dihedral angles of 22.52 (7) and 40.93 (4)° with the triazole ring. In the crystal, inversion dimers linked by pairs of O—H⋯O hydrogen bonds generate R (2) (2)(18) loops. The dimers are linked by C—H⋯O and C—H⋯N inter­actions into sheets lying parallel to the ac plane.
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spelling pubmed-33446572012-05-15 Dimethyl 1-(3-hy­droxy-2-iodo-1-phenyl­prop­yl)-1H-1,2,3-triazole-4,5-dicarboxyl­ate Fun, Hoong-Kun Chia, Tze Shyang Archana, Sivasubramanian Dinesh, Murugan Ponnuswamy, Alagusundaram Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(15)H(16)IN(3)O(5), the central triazole ring is essentially planar (r.m.s deviation = 0.0034 Å) and makes a dihedral angle of 70.14 (5)° with the pendant benzene ring. The mean planes of the two meth­oxy­carbonyl groups make dihedral angles of 22.52 (7) and 40.93 (4)° with the triazole ring. In the crystal, inversion dimers linked by pairs of O—H⋯O hydrogen bonds generate R (2) (2)(18) loops. The dimers are linked by C—H⋯O and C—H⋯N inter­actions into sheets lying parallel to the ac plane. International Union of Crystallography 2012-04-28 /pmc/articles/PMC3344657/ /pubmed/22590419 http://dx.doi.org/10.1107/S1600536812018193 Text en © Fun et al. 2012 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
Chia, Tze Shyang
Archana, Sivasubramanian
Dinesh, Murugan
Ponnuswamy, Alagusundaram
Dimethyl 1-(3-hy­droxy-2-iodo-1-phenyl­prop­yl)-1H-1,2,3-triazole-4,5-dicarboxyl­ate
title Dimethyl 1-(3-hy­droxy-2-iodo-1-phenyl­prop­yl)-1H-1,2,3-triazole-4,5-dicarboxyl­ate
title_full Dimethyl 1-(3-hy­droxy-2-iodo-1-phenyl­prop­yl)-1H-1,2,3-triazole-4,5-dicarboxyl­ate
title_fullStr Dimethyl 1-(3-hy­droxy-2-iodo-1-phenyl­prop­yl)-1H-1,2,3-triazole-4,5-dicarboxyl­ate
title_full_unstemmed Dimethyl 1-(3-hy­droxy-2-iodo-1-phenyl­prop­yl)-1H-1,2,3-triazole-4,5-dicarboxyl­ate
title_short Dimethyl 1-(3-hy­droxy-2-iodo-1-phenyl­prop­yl)-1H-1,2,3-triazole-4,5-dicarboxyl­ate
title_sort dimethyl 1-(3-hy­droxy-2-iodo-1-phenyl­prop­yl)-1h-1,2,3-triazole-4,5-dicarboxyl­ate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3344657/
https://www.ncbi.nlm.nih.gov/pubmed/22590419
http://dx.doi.org/10.1107/S1600536812018193
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