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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

  • Czech description

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

Result continuities

  • Project

  • 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

  • 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

  • EID of the result in the Scopus database