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Synthesis and crystal structure of 2-(2-hy­droxy­phen­yl)-1,3-bis­(4-meth­oxy­benz­yl)-1,3-diazinan-5-ol

The redetermined structure of 2-(2-hy­droxy­phen­yl)-1,3-bis­(4-meth­oxy­benz­yl)-1,3-diazinan-5-ol, C(26)H(30)N(2)O(4), at 173 K has ortho­rhom­bic (Pbca) symmetry. It was previously described by Bolte et al. [ Private Communication (refcode EWICEV). CCDC, Cambridge, England]. The title compound re...

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Autores principales: Rivera, Augusto, Ríos-Motta, Jaime, Bolte, Michael
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9260363/
https://www.ncbi.nlm.nih.gov/pubmed/35855366
http://dx.doi.org/10.1107/S2056989022006508
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author Rivera, Augusto
Ríos-Motta, Jaime
Bolte, Michael
author_facet Rivera, Augusto
Ríos-Motta, Jaime
Bolte, Michael
author_sort Rivera, Augusto
collection PubMed
description The redetermined structure of 2-(2-hy­droxy­phen­yl)-1,3-bis­(4-meth­oxy­benz­yl)-1,3-diazinan-5-ol, C(26)H(30)N(2)O(4), at 173 K has ortho­rhom­bic (Pbca) symmetry. It was previously described by Bolte et al. [ Private Communication (refcode EWICEV). CCDC, Cambridge, England]. The title compound resulted from the condensation reaction between 1,3-bis­{[(4-meth­oxy­phen­yl)meth­yl]amino}­propan-2-ol and 2-hy­droxy­benzaldehyde in CH(3)OH. The structure exhibits disorder. One of the 4-meth­oxy­benzyl groups, the hy­droxy group bonded to the 1,3-diazinan ring, and the methyl group of the meth­oxy residue are disordered over two orientations, with occupancies of 0.807 (3)/0.193 (3), 0.642 (5)/0.358 (5), and 0.82 (4)/0.18 (4), respectively. The dihedral angles between the mean planes of the central 1,3-diazinan-5-ol and the 4-meth­oxy­phenyl rings (both occupancy components of the disordered ring) are 88.65 (13), 85.79 (14) and 83.4 (7)°. The crystal packing is sustained by C—H⋯O and O—H⋯π inter­actions, giving rise to infinite chains running along the b-axis direction.
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spelling pubmed-92603632022-07-18 Synthesis and crystal structure of 2-(2-hy­droxy­phen­yl)-1,3-bis­(4-meth­oxy­benz­yl)-1,3-diazinan-5-ol Rivera, Augusto Ríos-Motta, Jaime Bolte, Michael Acta Crystallogr E Crystallogr Commun Research Communications The redetermined structure of 2-(2-hy­droxy­phen­yl)-1,3-bis­(4-meth­oxy­benz­yl)-1,3-diazinan-5-ol, C(26)H(30)N(2)O(4), at 173 K has ortho­rhom­bic (Pbca) symmetry. It was previously described by Bolte et al. [ Private Communication (refcode EWICEV). CCDC, Cambridge, England]. The title compound resulted from the condensation reaction between 1,3-bis­{[(4-meth­oxy­phen­yl)meth­yl]amino}­propan-2-ol and 2-hy­droxy­benzaldehyde in CH(3)OH. The structure exhibits disorder. One of the 4-meth­oxy­benzyl groups, the hy­droxy group bonded to the 1,3-diazinan ring, and the methyl group of the meth­oxy residue are disordered over two orientations, with occupancies of 0.807 (3)/0.193 (3), 0.642 (5)/0.358 (5), and 0.82 (4)/0.18 (4), respectively. The dihedral angles between the mean planes of the central 1,3-diazinan-5-ol and the 4-meth­oxy­phenyl rings (both occupancy components of the disordered ring) are 88.65 (13), 85.79 (14) and 83.4 (7)°. The crystal packing is sustained by C—H⋯O and O—H⋯π inter­actions, giving rise to infinite chains running along the b-axis direction. International Union of Crystallography 2022-06-28 /pmc/articles/PMC9260363/ /pubmed/35855366 http://dx.doi.org/10.1107/S2056989022006508 Text en © Rivera et al. 2022 https://creativecommons.org/licenses/by/4.0/This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Research Communications
Rivera, Augusto
Ríos-Motta, Jaime
Bolte, Michael
Synthesis and crystal structure of 2-(2-hy­droxy­phen­yl)-1,3-bis­(4-meth­oxy­benz­yl)-1,3-diazinan-5-ol
title Synthesis and crystal structure of 2-(2-hy­droxy­phen­yl)-1,3-bis­(4-meth­oxy­benz­yl)-1,3-diazinan-5-ol
title_full Synthesis and crystal structure of 2-(2-hy­droxy­phen­yl)-1,3-bis­(4-meth­oxy­benz­yl)-1,3-diazinan-5-ol
title_fullStr Synthesis and crystal structure of 2-(2-hy­droxy­phen­yl)-1,3-bis­(4-meth­oxy­benz­yl)-1,3-diazinan-5-ol
title_full_unstemmed Synthesis and crystal structure of 2-(2-hy­droxy­phen­yl)-1,3-bis­(4-meth­oxy­benz­yl)-1,3-diazinan-5-ol
title_short Synthesis and crystal structure of 2-(2-hy­droxy­phen­yl)-1,3-bis­(4-meth­oxy­benz­yl)-1,3-diazinan-5-ol
title_sort synthesis and crystal structure of 2-(2-hy­droxy­phen­yl)-1,3-bis­(4-meth­oxy­benz­yl)-1,3-diazinan-5-ol
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9260363/
https://www.ncbi.nlm.nih.gov/pubmed/35855366
http://dx.doi.org/10.1107/S2056989022006508
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