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3,3′-(Ethane-1,2-diyl)bis(6-methoxy-3,4-dihydro-2H-1,3-benzoxazine) monohydrate
The asymmetric unit of the title compound, C(20)H(24)N(2)O(4)·H(2)O, contains one half-organic molecule (an inversion centre generates the other half of the molecule) and a half-molecule of water (the O atom has site symmetry 2). The near planarity of the fused-benzene ring is illustrated by the...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3435746/ https://www.ncbi.nlm.nih.gov/pubmed/22969617 http://dx.doi.org/10.1107/S1600536812035519 |
Sumario: | The asymmetric unit of the title compound, C(20)H(24)N(2)O(4)·H(2)O, contains one half-organic molecule (an inversion centre generates the other half of the molecule) and a half-molecule of water (the O atom has site symmetry 2). The near planarity of the fused-benzene ring is illustrated by the very small deviations of all the atoms from the plane [largest deviation = 0.0092 (11) Å. The six-membered N,O-containing ring adopts a half-chair conformation. The observed N—CH(2) and CH(2)—O bond lengths can be correlated to the manifestation of an anomeric effect in the N—CH(2)—O unit. In the crystal, the molecules are connected into zigzag chains parallel to [001] through O—H⋯N hydrogen bonds formed between the oxazinic N atom and the solvent water molecule. The chains are consolidated by C—H⋯O interactions. |
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