Synthesis and crystal structure of 2-(2-hydroxyphenyl)-1,3-bis(4-methoxybenzyl)-1,3-diazinan-5-ol
- The redetermined structure of 2-(2-hydroxyphenyl)-1,3-bis(4-methoxybenzyl)-1,3-diazinan-5-ol, C26H30N2O4, at 173 K has orthorhombic (Pbca) symmetry. It was previously described by Bolte et al. [ Private Communication (refcode EWICEV). CCDC, Cambridge, England]. The title compound resulted from the condensation reaction between 1,3-bis{[(4-methoxyphenyl)methyl]amino}propan-2-ol and 2-hydroxybenzaldehyde in CH3OH. The structure exhibits disorder. One of the 4-methoxybenzyl groups, the hydroxy group bonded to the 1,3-diazinan ring, and the methyl group of the methoxy residue are disordered over two orientations, with occupancies of 0.807 (3)/0.193 (3), 0.642 (5)/0.358 (5), and 0.82 (4)/0.18 (4), respectively. The dihedral angles between the mean planes of the central 1,3-diazinan-5-ol and the 4-methoxyphenyl rings (both occupancy components of the disordered ring) are 88.65 (13), 85.79 (14) and 83.4 (7)°. The crystal packing is sustained by C—H...O and O—H...π interactions, giving rise to infinite chains running along the b-axis direction.
Author: | Augusto RiveraORCiD, Jaime Ríos-MottaORCiD, Michael BolteORCiD |
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URN: | urn:nbn:de:hebis:30:3-757796 |
DOI: | https://doi.org/10.1107/S2056989022006508 |
ISSN: | 2056-9890 |
Parent Title (English): | Acta Crystallographica. Section E, Crystallographic communications |
Publisher: | International Union of Crystallography |
Place of publication: | Chester |
Document Type: | Article |
Language: | English |
Year of Completion: | 2022 |
Year of first Publication: | 2022 |
Publishing Institution: | Universitätsbibliothek Johann Christian Senckenberg |
Release Date: | 2023/09/20 |
Tag: | C-H...O interactions; Mannich-type bases; O-H...[pi] interactions; crystal structure; hexahydropyrimidine; intramolecular hydrogen bond |
Volume: | 78 |
Issue: | 7 |
Page Number: | 12 |
First Page: | 742 |
Last Page: | 745 |
HeBIS-PPN: | 513119531 |
Institutes: | Biochemie, Chemie und Pharmazie / Biochemie und Chemie |
Dewey Decimal Classification: | 5 Naturwissenschaften und Mathematik / 54 Chemie / 540 Chemie und zugeordnete Wissenschaften |
Sammlungen: | Universitätspublikationen |
Licence (German): | Creative Commons - CC BY - Namensnennung 4.0 International |