meso-4,4´-Difluoro-2,2´-{[(3aR,7aS )-2,3,3a,4,5,6,7,7a-octahydro-1H-1,3-benzimidazole-1,3-diyl]bis(methylene)}diphenol
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68378271%3A_____%2F13%3A00391700" target="_blank" >RIV/68378271:_____/13:00391700 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1107/S1600536813000305" target="_blank" >http://dx.doi.org/10.1107/S1600536813000305</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1107/S1600536813000305" target="_blank" >10.1107/S1600536813000305</a>
Alternative languages
Result language
angličtina
Original language name
meso-4,4´-Difluoro-2,2´-{[(3aR,7aS )-2,3,3a,4,5,6,7,7a-octahydro-1H-1,3-benzimidazole-1,3-diyl]bis(methylene)}diphenol
Original language description
In the crystal structure of the title compound, C21H24F2N2O2, there are two intramolecular O-H...N hydrogen bonds involving the N atoms of the imidazolidine ring and the hydroxy groups. The crystal studied was a meso compound obtained by the reaction ofthe aminal (2S,7R,11S,16R)- 1,8,10,17-tetraazapentacyclo[8.8.1.1^(8,17).0^(2,7).0^(11,16)]cosane with 4-fluorophenol. The imidazolidine ring has a twisted conformation with a CH-CH-N-CH2 torsion angle of 44.99 (14) and, surprisingly, the lone pairs of the N atoms are disposed in a syn isomerism, making the title compound an exception to the typical rabbit-ear effect? in 1,2-diamines. In the crystal, molecules are linked via C-H...F hydrogen bonds, forming chains along the c-axis direction. These chainsare linked via another C-H...F hydrogen bond, forming a three-dimensional network.
Czech name
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Czech description
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Classification
Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
BM - Solid-state physics and magnetism
OECD FORD branch
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Result continuities
Project
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Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2013
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Acta Crystallographica section E - Structure Reports Online
ISSN
1600-5368
e-ISSN
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Volume of the periodical
69
Issue of the periodical within the volume
Part 2
Country of publishing house
DK - DENMARK
Number of pages
9
Pages from-to
"o217"-"sub-8"
UT code for WoS article
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EID of the result in the Scopus database
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