Search tips
Search criteria

Results 1-3 (3)

Clipboard (0)

Select a Filter Below

Year of Publication
Document Types
1.  1,3-Bis(3-tert-butyl-2-hy­droxy-5-meth­oxy­benz­yl)hexa­hydro­pyrimidin-5-ol monohydrate 
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.
PMCID: PMC4051104  PMID: 24940265
2.  4,4′-Dimethyl-2,2′-{[2,3,3a,4,5,6,7,7a-octa­hydro-1H-benzimidazole-1,3-di­yl]bis­(methyl­ene)}diphenol 
The asymmetric unit of the title compound, C23H30N2O2, contains one half-mol­ecule, with a twofold axis splitting the mol­ecule in two identical halves. The structure of the racemic mixture has been reported previously [Rivera et al. (2009 ▶) J. Chem. Crystallogr. 39, 827–830] but the enanti­omer reported here crystallized in the ortho­rhom­bic space group P21212 (Z = 2), whereas the racemate occurs in the triclinic space group P-1 (Z = 2). The observed mol­ecular conformation is stabilized by two intra­molecular O—H⋯N hydrogen bonds, which generate rings with graph-set motif S(6). In the crystal, mol­ecules are linked via non-classical C—H⋯O inter­actions, which stack the mol­ecules along the b axis.
PMCID: PMC3772489  PMID: 24046632
3.  (2S,7S)-10-Ethyl-1,8,10,12-tetra­aza­tetra­cyclo­[,12.02,7]penta­decan-10-ium iodide 
The title chiral quaternary ammonium salt, C13H25N4 +·I−, was synthesized through the Menschutkin reaction between the cage aminal (2S,7S)-1,8,10,12-tetra­aza­tetra­cyclo­[,12.02,7]penta­decane and ethyl iodide. The quaternization occurred regioselectively on the nitrogen with major sp3 character. The crystal structure consists of anions and cations separated by normal distances. Ions are not linked through C—H⋯I hydrogen bonds.
PMCID: PMC3470393  PMID: 23125806

Results 1-3 (3)