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meso-4,4'-Dimethoxy-2,2'-{[(3aR,7aS)- 2,3,3a,4,5,6,7,7a-octahydro-1H-benzimidazole- 1,3-diyl]bis(methylene)}- diphenol
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SYSNO ASEP 0421051 Druh ASEP J - Článek v odborném periodiku Zařazení RIV J - Článek v odborném periodiku Poddruh J Článek ve SCOPUS Název meso-4,4'-Dimethoxy-2,2'-{[(3aR,7aS)- 2,3,3a,4,5,6,7,7a-octahydro-1H-benzimidazole- 1,3-diyl]bis(methylene)}- diphenol Tvůrce(i) Rivera, A. (CO)
Quiroga, D. (CO)
Ríos-Motta, J. (CO)
Kučeráková, Monika (FZU-D) RID, ORCID
Dušek, Michal (FZU-D) RID, ORCID, SAIZdroj.dok. Acta Crystallographica Section E-Structure Reports Online. - : Oxford Blackwell - ISSN 1600-5368
Roč. 69, č. 7 (2013), o1057-o1058Poč.str. 2 s. Jazyk dok. eng - angličtina Země vyd. DK - Dánsko Klíč. slova single-crystal X-ray study ; T = 120 K ; mean sigma(C–C) = 0.003 A ; R factor = 0.031 ; wR factor = 0.080 ; data-to-parameter ratio = 13.0 Vědní obor RIV BM - Fyzika pevných látek a magnetismus Institucionální podpora FZU-D - RVO:68378271 EID SCOPUS 84879984057 DOI 10.1107/S1600536813015092 Anotace The title compound, C23H30N2O4, a di-Mannich base derived from 4-methoxyphenol and cis-1,2-diaminecyclohexane, has a perhydrobenzimidazolidine nucleus, in which the cyclohexane ring adopts a chair conformation and the heterocyclic ring has a half-chair conformation with a C—N—C—C torsion angles of -48.14 (15) and -14.57 (16)°. The mean plane of the heterocycle makes dihedral angles of 86.29 (6) and 78.92 (6) with the pendant benzene rings. The molecular structure of the title compound shows the presence of two interactions between the N atoms of the imidazolidine ring and the hydroxyl groups through intramolecular O—H...N hydrogen bonds with graph-set motif S(6). The unobserved lone pairs of the N atoms are presumed to be disposed in a syn conformation, being only the second example of an exception to the typical ‘rabbit-ears’ effect in 1,2-diamines. Pracoviště Fyzikální ústav Kontakt Kristina Potocká, potocka@fzu.cz, Tel.: 220 318 579 Rok sběru 2014
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