TY  - JOUR
A1  - Rivera, Augusto
A1  - Miranda Carvajal, Ingrid Johanna
A1  - Osorio, Héctor Jairo
A1  - Ríos-Motta, Jaime
A1  - Bolte, Michael
T1  - 1,3-Bis(3-tert-butyl-2-hy­droxy-5-meth­oxy­benz­yl)hexa­hydro­pyrimidin-5-ol monohydrate
T2  - Acta Crystallographica. Section E, Crystallographic communications
N2  - The asymmetric unit of the title compound, C28H42N2O5·H2O, consists of one half of the organic mol­ecule and one half-mol­ecule of water, both of which are located on a mirror plane which passes through the central C atoms and the hydroxyl group of the heterocyclic system. The hydroxyl group at the central ring is disordered over two equally occupied positions. The six-membered ring adopts a chair conformation, and the 2-hy­droxy­benzyl substituents occupy the sterically preferred equatorial positions. The aromatic rings make dihedral angles of 75.57 (9)° with the mean plane of the heterocyclic ring. The dihedral angle between the two aromatic rings is 19.18 (10)°. The mol­ecular structure features two intra­molecular phenolic O-H...N hydrogen bonds with graph-set motif S(6). In the crystal, mol­ecules are connected via O-H...O hydrogen bonds into zigzag chains running along the a-axis direction.
Y1  - 2014
UR  - http://publikationen.ub.uni-frankfurt.de/frontdoor/index/index/docId/75812
UR  - https://nbn-resolving.org/urn:nbn:de:hebis:30:3-758125
SN  - 2056-9890
VL  - 70
IS  - 6
SP  - o687
EP  - o688
PB  - International Union of Crystallography
CY  - Chester
ER  -