Počet záznamů: 1

Structural consequences of anomeric effect in 1,3,6,8-tetraazatricyclo[4.3.1.1.sup.3,8./sup.]undecan-1-ium pentachlorophenolate monohydrate

  1. 1.
    0366988 - FZU-D 2012 RIV US eng J - Článek v odborném periodiku
    Rivera, A. - Sadat-Bernal, J. - Ríos-Motta, J. - Dušek, Michal - Fejfarová, Karla
    Structural consequences of anomeric effect in 1,3,6,8-tetraazatricyclo[4.3.1.13,8]undecan-1-ium pentachlorophenolate monohydrate.
    Journal of Chemical Crystallography. Roč. 41, č. 4 (2011), s. 591-595 ISSN 1074-1542
    Grant ostatní:AV ČR(CZ) AP0701
    Program:Akademická prémie - Praemium Academiae
    Výzkumný záměr: CEZ:AV0Z10100521
    Klíčová slova: crystal structure * intermolecular hydrogen bond * aminal cage * NBO analysis * DFT
    Kód oboru RIV: BM - Fyzika pevných látek a magnetismus
    Impakt faktor: 0.566, rok: 2011

    The asymmetric unit of the crystal structure contains one molecule of the title compound and one molecule of water. X-ray diffraction spectrum of the ammonium salt of title compound exhibits deviations from the ideal molecular geometry which is explained on the basis of anomeric effect. The molecules are linked via N-H...O hydrogen bonds. This compound crystallizes in monoclinic symmetry, in space group P21/n, R1 = 3.3%, wR2 = 10.6%.
    Trvalý link: http://hdl.handle.net/11104/0201792