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3,3´-(Ethane-1,2-diyl)bis(6-methoxy-3,4-dihydro-2H-1,3- benzoxazine) monohydrate
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SYSNO ASEP 0384490 Druh ASEP J - Článek v odborném periodiku Zařazení RIV J - Článek v odborném periodiku Poddruh J Článek ve SCOPUS Název 3,3´-(Ethane-1,2-diyl)bis(6-methoxy-3,4-dihydro-2H-1,3- benzoxazine) monohydrate Tvůrce(i) Rivera, A. (CO)
Camacho, J. (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. 68, Part 9 (2012), "o2734"-"sup5"Poč.str. 6 s. Jazyk dok. eng - angličtina Země vyd. DK - Dánsko Klíč. slova single-crystal X-ray study ; T = 120 K ; mean δ(C–C) = 0.002 ; R factor = 0.030 ; wR factor = 0.94 ; data-to-parameter ratio = 12.9 Vědní obor RIV BM - Fyzika pevných látek a magnetismus CEZ AV0Z10100521 - FZU-D (2005-2011) EID SCOPUS 84865777316 DOI 10.1107/S1600536812035519 Anotace The asymmetric unit of the title compound, C20H24N2O4.H2O, contains one half-organic molecule (an inversion centre generates the other half of the molecule) and a half-molecule of water (the O atom has site symmetry 2). The near planarity of the fused-benzene ring is illustrated by the very small deviations of all the atoms from the plane [largest deviation = 0.0092(11) Å . The six-membered N,O-containing ring adopts a half-chair conformation. The observed N-CH2 and CH2-O bond lengths can be correlated to the manifestation of an anomeric effect in the N-CH2-O unit. In the crystal, the molecules are connected into zigzag chains parallel to [001] through O-H...N hydrogen bonds formed between the oxazinic N atom and the solvent water molecule. The chains are consolidated by C-H...O interactions. Pracoviště Fyzikální ústav Kontakt Kristina Potocká, potocka@fzu.cz, Tel.: 220 318 579 Rok sběru 2013
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