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Statements

Subject Item
n2:RIV%2F68378271%3A_____%2F11%3A00366988%21RIV12-AV0-68378271
rdf:type
skos:Concept n15:Vysledek
dcterms:description
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%. 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%.
dcterms:title
Structural consequences of anomeric effect in 1,3,6,8-tetraazatricyclo[4.3.1.13,8]undecan-1-ium pentachlorophenolate monohydrate Structural consequences of anomeric effect in 1,3,6,8-tetraazatricyclo[4.3.1.13,8]undecan-1-ium pentachlorophenolate monohydrate
skos:prefLabel
Structural consequences of anomeric effect in 1,3,6,8-tetraazatricyclo[4.3.1.13,8]undecan-1-ium pentachlorophenolate monohydrate Structural consequences of anomeric effect in 1,3,6,8-tetraazatricyclo[4.3.1.13,8]undecan-1-ium pentachlorophenolate monohydrate
skos:notation
RIV/68378271:_____/11:00366988!RIV12-AV0-68378271
n15:predkladatel
n19:ico%3A68378271
n3:aktivita
n16:Z
n3:aktivity
Z(AV0Z10100521)
n3:cisloPeriodika
4
n3:dodaniDat
n11:2012
n3:domaciTvurceVysledku
n14:8772274 n14:5796350
n3:druhVysledku
n13:J
n3:duvernostUdaju
n18:S
n3:entitaPredkladatele
n9:predkladatel
n3:idSjednocenehoVysledku
232740
n3:idVysledku
RIV/68378271:_____/11:00366988
n3:jazykVysledku
n8:eng
n3:klicovaSlova
crystal structure; intermolecular hydrogen bond; aminal cage; NBO analysis; DFT
n3:klicoveSlovo
n6:DFT n6:crystal%20structure n6:intermolecular%20hydrogen%20bond n6:aminal%20cage n6:NBO%20analysis
n3:kodStatuVydavatele
US - Spojené státy americké
n3:kontrolniKodProRIV
[6A2FC3E323F3]
n3:nazevZdroje
Journal of Chemical Crystallography
n3:obor
n17:BM
n3:pocetDomacichTvurcuVysledku
2
n3:pocetTvurcuVysledku
5
n3:rokUplatneniVysledku
n11:2011
n3:svazekPeriodika
41
n3:tvurceVysledku
Fejfarová, Karla Rivera, A. Ríos-Motta, J. Dušek, Michal Sadat-Bernal, J.
n3:wos
000288178600029
n3:zamer
n4:AV0Z10100521
s:issn
1074-1542
s:numberOfPages
5
n10:doi
10.1007/s10870-011-0008-8