TY  - JOUR
A1  - Rivera, Augusto
A1  - Miranda Carvajal, Ingrid Johanna
A1  - Ríos-Motta, Jaime
A1  - Bolte, Michael
T1  - Crystal structure of 1,3-bis(3-tert-butyl-2-hydroxy-5-methylbenzyl)-1,3-diazinan-5-ol monohydrate
T2  - Acta crystallographica. Section E, Crystallographic communications
N2  - In the title hydrate, C28H42N2O3·H2O, the central 1,3-diazinan-5-ol ring adopts a chair conformation with the two benzyl substituents equatorial and the lone pairs of the N atoms axial. The dihedral angle between the aromatic rings is 19.68 (38)°. There are two intra­molecular O-H...N hydrogen bonds, each generating an S(6) ring motif. In the crystal, classical O-H...O hydrogen bonds connect the 1,3-diazinane and water mol­ecules into columns extending along the b axis. The crystal structure was refined as a two-component twin with a fractional contribution to the minor domain of 0.0922 (18).
KW  - crystal structure
KW  - hexa­hydro­pyrimidine
KW  - 1,3-diazinane
KW  - hydrogen bond
Y1  - 2016
UR  - http://publikationen.ub.uni-frankfurt.de/frontdoor/index/index/docId/42881
UR  - https://nbn-resolving.org/urn:nbn:de:hebis:30:3-428810
UR  - https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5120723
SN  - 2056-9890
N1  - This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
VL  - 72
IS  - Pt 9
SP  - 1353
EP  - 1355
PB  - International Union of Crystallography
CY  - Chester
ER  -