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Crystal structures of 5,5′-bis(­hydroxy­methyl)-3,3′-biisoxazole and 4,4′,5,5′-tetrakis­(hydroxy­methyl)-3,3′-biisoxazole

The mol­ecular structure of 5,5′-bis(­hydroxy­methyl)-3,3′-biisoxazole, C(8)H(8)N(2)O(4) (1), is composed of two trans planar isoxazole rings [r.m.s deviation = 0.006 (1) Å], each connected with a methyl hydroxyl group. Similarly, the structure of 4,4′,5,5′-tetrakis­(hydroxy­methyl)-3,3′-biisoxazole...

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Autores principales: Sausa, Rosario C., Wingard, Leah A., Guzmán, Pablo E., Pesce-Rodriguez, Rose A., Sabatini, Jesse J., Zavalij, Peter Y.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2018
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5956336/
https://www.ncbi.nlm.nih.gov/pubmed/29850053
http://dx.doi.org/10.1107/S2056989018000828
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author Sausa, Rosario C.
Wingard, Leah A.
Guzmán, Pablo E.
Pesce-Rodriguez, Rose A.
Sabatini, Jesse J.
Zavalij, Peter Y.
author_facet Sausa, Rosario C.
Wingard, Leah A.
Guzmán, Pablo E.
Pesce-Rodriguez, Rose A.
Sabatini, Jesse J.
Zavalij, Peter Y.
author_sort Sausa, Rosario C.
collection PubMed
description The mol­ecular structure of 5,5′-bis(­hydroxy­methyl)-3,3′-biisoxazole, C(8)H(8)N(2)O(4) (1), is composed of two trans planar isoxazole rings [r.m.s deviation = 0.006 (1) Å], each connected with a methyl hydroxyl group. Similarly, the structure of 4,4′,5,5′-tetrakis­(hydroxy­methyl)-3,3′-biisoxazole, C(10)H(12)N(2)O(6) (2), is composed of two planar isoxazole rings [r.m.s. deviation = 0.002 (1) Å], but with four hydroxymethyl groups as substituents. Both mol­ecules sit on a center of inversion, thus Z′ = 0.5. The crystal structures are stabilized by networks of O—H⋯N [for (1)] and O—H⋯O hydrogen-bonding inter­actions [for (2)], giving rise to corrugated supra­molecular planes. The isoxazole rings are packed in a slip-stacked fashion, with centroid-to-centroid distances of 4.0652 (1) Å for (1) (along the b-axis direction) and of 4.5379 (Å) for (2) (along the a-axis direction).
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spelling pubmed-59563362018-05-30 Crystal structures of 5,5′-bis(­hydroxy­methyl)-3,3′-biisoxazole and 4,4′,5,5′-tetrakis­(hydroxy­methyl)-3,3′-biisoxazole Sausa, Rosario C. Wingard, Leah A. Guzmán, Pablo E. Pesce-Rodriguez, Rose A. Sabatini, Jesse J. Zavalij, Peter Y. Acta Crystallogr E Crystallogr Commun Research Communications The mol­ecular structure of 5,5′-bis(­hydroxy­methyl)-3,3′-biisoxazole, C(8)H(8)N(2)O(4) (1), is composed of two trans planar isoxazole rings [r.m.s deviation = 0.006 (1) Å], each connected with a methyl hydroxyl group. Similarly, the structure of 4,4′,5,5′-tetrakis­(hydroxy­methyl)-3,3′-biisoxazole, C(10)H(12)N(2)O(6) (2), is composed of two planar isoxazole rings [r.m.s. deviation = 0.002 (1) Å], but with four hydroxymethyl groups as substituents. Both mol­ecules sit on a center of inversion, thus Z′ = 0.5. The crystal structures are stabilized by networks of O—H⋯N [for (1)] and O—H⋯O hydrogen-bonding inter­actions [for (2)], giving rise to corrugated supra­molecular planes. The isoxazole rings are packed in a slip-stacked fashion, with centroid-to-centroid distances of 4.0652 (1) Å for (1) (along the b-axis direction) and of 4.5379 (Å) for (2) (along the a-axis direction). International Union of Crystallography 2018-01-19 /pmc/articles/PMC5956336/ /pubmed/29850053 http://dx.doi.org/10.1107/S2056989018000828 Text en © Sausa et al. 2018 http://creativecommons.org/licenses/by/2.0/uk/ 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.http://creativecommons.org/licenses/by/2.0/uk/
spellingShingle Research Communications
Sausa, Rosario C.
Wingard, Leah A.
Guzmán, Pablo E.
Pesce-Rodriguez, Rose A.
Sabatini, Jesse J.
Zavalij, Peter Y.
Crystal structures of 5,5′-bis(­hydroxy­methyl)-3,3′-biisoxazole and 4,4′,5,5′-tetrakis­(hydroxy­methyl)-3,3′-biisoxazole
title Crystal structures of 5,5′-bis(­hydroxy­methyl)-3,3′-biisoxazole and 4,4′,5,5′-tetrakis­(hydroxy­methyl)-3,3′-biisoxazole
title_full Crystal structures of 5,5′-bis(­hydroxy­methyl)-3,3′-biisoxazole and 4,4′,5,5′-tetrakis­(hydroxy­methyl)-3,3′-biisoxazole
title_fullStr Crystal structures of 5,5′-bis(­hydroxy­methyl)-3,3′-biisoxazole and 4,4′,5,5′-tetrakis­(hydroxy­methyl)-3,3′-biisoxazole
title_full_unstemmed Crystal structures of 5,5′-bis(­hydroxy­methyl)-3,3′-biisoxazole and 4,4′,5,5′-tetrakis­(hydroxy­methyl)-3,3′-biisoxazole
title_short Crystal structures of 5,5′-bis(­hydroxy­methyl)-3,3′-biisoxazole and 4,4′,5,5′-tetrakis­(hydroxy­methyl)-3,3′-biisoxazole
title_sort crystal structures of 5,5′-bis(­hydroxy­methyl)-3,3′-biisoxazole and 4,4′,5,5′-tetrakis­(hydroxy­methyl)-3,3′-biisoxazole
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5956336/
https://www.ncbi.nlm.nih.gov/pubmed/29850053
http://dx.doi.org/10.1107/S2056989018000828
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