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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...
Autores principales: | , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2018
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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 |
Sumario: | 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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