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4,4',6,6'-Tetra-tert-butyl-2,2'-[1,3-diazinane-1,3-diylbis(methyl-ene)]diphenol 0.25-hydrate.

ABSTRACT: The title compound, C(34)H(54)N(2)O(2)·0.25H(2)O, the organic mol-ecule, a potential tetra-dentate ligand with a bulky phenolic donor, has overall mirror symmetry. A partially occupied water mol-ecule of solvation is present in the lattice. The six-membered 1,3-diazinane ring displays a chair conformation. An intra-molecular O-H⋯N hydrogen bond ocurs. In the crystal, mol-ecules are linked by O-H⋯O inter-actions.

SUBMITTER: Zhang M

PROVIDER: S-EPMC3393934 | biostudies-literature |

REPOSITORIES: biostudies-literature

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6,6'-Di-tert-butyl-4,4'-dimeth-oxy-2,2'-[1,3-diazinane-1,3-diylbis(methyl-ene)]diphenol 0.19-hydrate.

Project description:In the title hexa-hydro-pyrimidine derivative, C(28)H(42)N(2)O(4)·0.19H(2)O, the 1,3-diazinane ring has a chair conformation with a diequatorial substitution. The asymmetric unit contains one half-organic mol-ecule and a solvent water mol-ecule with occupany 0.095. The mol-ecule lies on a mirror plane perpendicular to [010] which passes through the C atoms at the 2- and 5-positions of the heterocyclic system. The partially occupied water mol-ecule is also located on this mirror plane. The dihedral angle between the planes of the aromatic rings is 17.71?(3)°. Two intra-molecular O-H?N hydrogen bonds with graph-set motif S(6) are present. No remarkable inter-molecular contacts exist in the crystal structure.

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Project description:The title compound, C(34)H(52)N(2)O(2), is centrosymmetric, the mid-point of the central C-C bond being located on an inversion centre. Intra-molecular O-H?N and weak C-H?O hydrogen bonds are observed, but no significant inter-molecular inter-actions occur in the crystal structure.

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Project description:The title compound, C(18)H(20)Br(2)N(2)O(2), the heterocyclic ring adopts a chair conformation. The benzene rings make dihedral angles of 86.84?(10) and 60.73?(10)° with the mean plane of the heterocyclic ring. The dihedral angle between the two benzene rings is 79.77?(10)°. The mol-ecular structure is stabilized by two intra-molecular hydrogen bonds between the phenolic hy-droxy groups and N atoms with graph-set motif S(6). The crystal structure is stabilized by weak C-H?? inter-actions.

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