1,3-Bis(3-tert-butyl-2-hydroxy-5-methoxybenzyl)hexahydropyrimidin-5-ol monohydrate
نویسندگان
چکیده
The asymmetric unit of the title compound, C28H42N2O5·H2O, consists of one half of the organic mol-ecule and one half-mol-ecule 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-hy-droxy-benzyl 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 mol-ecular structure features two intra-molecular phenolic O-H⋯N hydrogen bonds with graph-set motif S(6). In the crystal, mol-ecules are connected via O-H⋯O hydrogen bonds into zigzag chains running along the a-axis direction.
منابع مشابه
Crystal structure of 1,3-bis(3-tert-butyl-2-hydroxy-5-methylbenzyl)-1,3-diazinan-5-ol monohydrate
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 intra-molecular O-H⋯N hydrogen bonds, each generating an S(6) ring motif. In the crystal, classical O-H⋯O hydrogen bonds connect the 1,...
متن کامل5-(4-Hydroxy-3-methoxybenzyl)-1,3-thiazolidine-2,4-dione monohydrate
In the title compound, C(11)H(11)NO(4)S·H(2)O, the five-membered thia-zolidine ring is nearly planar, with a maximum deviation of 0.010 (2) Å. The dihedral angle between the thia-zolidine and benzene rings is 49.16 (9)°. Inter-molecular O-H⋯O and N-H⋯O hydrogen bonding is present in the crystal structure.
متن کاملHigh-temperature single-site ethylene polymerization behavior of titanate complexes supported by 1,3-bis(3,5-dialkylpyrazol-1-yl)propan-2-olate ligation.
Titanate(1-) complexes Na[(THF)(kappa1-O-bdbpzp)TiCl4] (1) and Na[(THF)(kappa1-O-bdmpzp)TiCl4] (2) and titanate(2-) complexes [Na(THF)]2[(kappa1-O-bdbpzp)2TiCl4] (4) and [Na(THF)]2[(kappa1-O-bdmpzp)2TiCl4] (5) were obtained in good yield from reaction of Na[bdbpzp] or Na[bdmpzp] (sodium salt of 1,3-bis(3,5-di-tert-butylpyrazol-1yl)propan-2-ol or 1,3-bis(3,5-dimethylpyrazol-1yl)propan-2-ol) with...
متن کاملSynthesis and structure of the mercury chloride complex of 2,2′-(2-bromo-5-tert-butyl-1,3-phenylene)bis(1-methyl-1H-benzimidazole)
In the title mercury complex, catena-poly[[di-chlorido-mercury(II)]-μ-2,2'-(2-bromo-5-tert-butyl-1,3-phenyl-ene)bis-(1-methyl-1H-benzimidazole)-κ2N3:N3'], [HgCl2(C26H25BrN4)] n , the HgII atom is coordinated by two Cl atoms and by two N atoms from two 2,2'-(2-bromo-5-tert-butyl-1,3-phenyl-ene)bis-(1-methyl-1H-benzimidazole) ligands. The metal cation adopts a distorted tetrahedral coordination g...
متن کاملC,O-dialkylation of Meldrum's acid: synthesis and reactivity of 1,3,7,7-tetramethyl-4H,10H-6,8,9-trioxa-2-thiabenz[f]azulen-5-one.
Reaction of Meldrum's acid with 3,4-bis(chloromethyl)-2,5-dimethylthiophene (1) or 3,4-bis(bromomethyl)-2,5-dimethylthiophene (2) produces the kinetically favored C,O-dialkylation product, 1,3,7,7-tetramethyl-4H,10H-6,8,9-trioxa-2-thiabenz[f]azulen-5-one (4). Recrystallization of 4 from refluxing methanol results in the methanolysis product 5-(4-methoxymethyl-2,5-dimethylthiophen-3-ylmethyl)-2,...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
عنوان ژورنال:
دوره 70 شماره
صفحات -
تاریخ انتشار 2014