Počet záznamů: 1  

3,3´-(Ethane-1,2-diyl)bis(6-methoxy-3,4-dihydro-2H-1,3- benzoxazine) monohydrate

  1. 1. 0384490 - FZU-D 2013 RIV DK eng J - Článek v odborném periodiku
    Rivera, A. - Camacho, J. - Ríos-Motta, J. - Kučeráková, Monika - Dušek, Michal
    3,3´-(Ethane-1,2-diyl)bis(6-methoxy-3,4-dihydro-2H-1,3- benzoxazine) monohydrate.
    Acta Crystallographica section E - Structure Reports Online. Roč. 68, Part 9 (2012), "o2734"-"sup5" ISSN 1600-5368
    Grant ostatní:AV ČR(CZ) AP0701
    Program:Akademická prémie - Praemium Academiae
    Výzkumný záměr: CEZ:AV0Z10100521
    Klíčová slova: single-crystal X-ray study * T = 120 K * mean δ(C–C) = 0.002 * R factor = 0.030 * wR factor = 0.94 * data-to-parameter ratio = 12.9
    Kód oboru RIV: BM - Fyzika pevných látek a magnetismus
    Impakt faktor: 0.347, rok: 2011

    The asymmetric unit of the title compound, C20H24N2O4.H2O, 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-CH2 and CH2-O bond lengths can be correlated to the manifestation of an anomeric effect in the N-CH2-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.
    Trvalý link: http://hdl.handle.net/11104/0214119