TY  - JOUR
A1  - Rivera, Augusto
A1  - Ríos-Motta, Jaime
A1  - Bolte, Michael
T1  - Synthesis and crystal structure of 2-(2-hydroxyphenyl)-1,3-bis(4-methoxybenzyl)-1,3-diazinan-5-ol
T2  - Acta Crystallographica. Section E, Crystallographic communications
N2  - 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.
KW  - crystal structure
KW  - hexahydropyrimidine
KW  - O-H...[pi] interactions
KW  - C-H...O interactions
KW  - intramolecular hydrogen bond
KW  - Mannich-type bases
Y1  - 2022
UR  - http://publikationen.ub.uni-frankfurt.de/frontdoor/index/index/docId/75779
UR  - https://nbn-resolving.org/urn:nbn:de:hebis:30:3-757796
SN  - 2056-9890
VL  - 78
IS  - 7
SP  - 742
EP  - 745
PB  - International Union of Crystallography
CY  - Chester
ER  -