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
- 1.0366988 - FZÚ 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. E-ISSN 1572-8854
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
Počet záznamů: 1