About: 6,6'-Di-tert -butyl-4,4'-dimethoxy-2,2'-[1,3-diazinane-1,3- diylbis(methylene)]diphenol 0.19-hydrate

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About: 6,6'-Di-tert -butyl-4,4'-dimethoxy-2,2'-[1,3-diazinane-1,3- diylbis(methylene)]diphenol 0.19-hydrate Goto Sponge NotDistinct Permalink

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	In the title hexahydropyrimidine derivative, C28H42N2O4.0.19H2O, the 1,3-diazinane ring has a chair conformation witha diequatorial substitution. The asymmetric unit contains one half-organic molecule and a solvent water molecule with occupany 0.095. The molecule lies on a mirror plane perpendicular to [010] which passes through the C atoms at the 2- and 5-positions of the heterocyclic system. The partially occupied water molecule is also located on this mirror plane. The dihedral angle between the planes of the aromatic rings is 17.71 (3)°. Two intramolecular O—H...N hydrogen bonds with graph-set motif S(6) are present. No remarkable intermolecular contacts exist in the crystal structure. In the title hexahydropyrimidine derivative, C28H42N2O4.0.19H2O, the 1,3-diazinane ring has a chair conformation witha diequatorial substitution. The asymmetric unit contains one half-organic molecule and a solvent water molecule with occupany 0.095. The molecule lies on a mirror plane perpendicular to [010] which passes through the C atoms at the 2- and 5-positions of the heterocyclic system. The partially occupied water molecule is also located on this mirror plane. The dihedral angle between the planes of the aromatic rings is 17.71 (3)°. Two intramolecular O—H...N hydrogen bonds with graph-set motif S(6) are present. No remarkable intermolecular contacts exist in the crystal structure. (en)
Title	6,6'-Di-tert -butyl-4,4'-dimethoxy-2,2'-[1,3-diazinane-1,3- diylbis(methylene)]diphenol 0.19-hydrate 6,6'-Di-tert -butyl-4,4'-dimethoxy-2,2'-[1,3-diazinane-1,3- diylbis(methylene)]diphenol 0.19-hydrate (en)
skos:prefLabel	6,6'-Di-tert -butyl-4,4'-dimethoxy-2,2'-[1,3-diazinane-1,3- diylbis(methylene)]diphenol 0.19-hydrate 6,6'-Di-tert -butyl-4,4'-dimethoxy-2,2'-[1,3-diazinane-1,3- diylbis(methylene)]diphenol 0.19-hydrate (en)
skos:notation	RIV/68378271:_____/12:00376998!RIV13-AV0-68378271
http://linked.open...avai/predkladatel	Fyzikální ústav AV ČR, v.v.i.
http://linked.open...avai/riv/aktivita	Z
http://linked.open...avai/riv/aktivity	Z(AV0Z10100521)
http://linked.open...iv/cisloPeriodika	Part 1
http://linked.open...vai/riv/dodaniDat	2013
http://linked.open...aciTvurceVysledku	Fejfarová, Karla Dušek, Michal
http://linked.open.../riv/druhVysledku	J - Článek v odborném periodiku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Fyzikální ústav AV ČR, v. v. i.
http://linked.open...dnocenehoVysledku	183561
http://linked.open...ai/riv/idVysledku	RIV/68378271:_____/12:00376998
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	crystal structure; X-ray diffraction; Jana2006 (en)
http://linked.open.../riv/klicoveSlovo	Jana2006 X-ray diffraction crystal structure
http://linked.open...odStatuVydavatele	DK - Dánské království
http://linked.open...ontrolniKodProRIV	[5284A523B923]
http://linked.open...i/riv/nazevZdroje	Acta Crystallographica section E - Structure Reports Online
http://linked.open...in/vavai/riv/obor	BM
http://linked.open...ichTvurcuVysledku	2 (xsd:int)
http://linked.open...cetTvurcuVysledku	5 (xsd:int)
http://linked.open...UplatneniVysledku	2012
http://linked.open...v/svazekPeriodika	68
http://linked.open...iv/tvurceVysledku	Dušek, Michal Fejfarová, Karla Rivera, A. Ríos-Motta, J. González, D. M.
http://linked.open...ain/vavai/riv/wos	000298966400096
http://linked.open...n/vavai/riv/zamer	Physics and technology of nanostructures, surfaces and thin films
issn	1600-5368
number of pages	2 (xsd:int)
http://bibframe.org/vocab/doi	10.1107/S1600536811053542
is http://linked.open...avai/riv/vysledek of	6,6'-Di-tert -butyl-4,4'-dimethoxy-2,2'-[1,3-diazinane-1,3- diylbis(methylene)]diphenol 0.19-hydrate

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