Dimethylammonium 5,5-dimethyl-3-oxo-2-(3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)cyclohex-1-enolate 9-(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-enyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione n-hexane hemisolvate monohydrate
نویسندگان
چکیده
The main mol-ecule of the title compound, C(2)H(8)N(+)·C(25)H(31)O(5) (-)·C(25)H(32)O(5)·0.5C(6)H(14)·H(2)O, exists as two crystallographically independent mol-ecules, the hydr-oxy group of one being deprotonated. The pyran rings of both independent units adopt boat conformations. One of the two cyclo-hexene rings of the xanthene unit adopts an envelope conformation whereas the other is in a half-chair conformation. The cyclo-hexene ring attached to the xanthene unit adopts an envelope conformation. The n-hexane solvent mol-ecule is disordered about a crystallographic glide plane and the symmetry-independent components are again disordered over two positions, each with an occupancy of 0.25. In the crystal structure, the xanthene derivatives are linked by O-H⋯O, N-H⋯O and C-H⋯O hydrogen bonds, forming a three-dimensional network with channels along the a axis. The dimethyl-ammonium cations and water mol-ecules lie in small channels and are linked to the framework via O-H.·O and N-H⋯O hydrogen bonds. The n-hexane solvent mol-ecules occupy large channels.
منابع مشابه
3,3,6,6-Tetramethyl-9-[6-(3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)pyridin-2-yl]-2,3,4,5,6,7,8,9-octahydro-1H-xanthene-1,8-dione
In the title mol-ecule, C(39)H(45)NO(6), the two tetra-methyl-octa-hydroxanthen-1,8-dione substituents are arranged approximately parallel to each other and approximately perpendicular to the plane of the pyridine ring. The six-membered xanthene rings adopt flattened boat conformations with the O and methine C atoms deviating from the plane of the other four atoms.
متن کامل4a-Hydroxy-3,3,6,6-tetramethyl-9-[6-(3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)pyridin-2-yl]-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-xanthene-1,8-dione ethanol hemisolvate hemihydrate
The pyridine ring in the title compound, C(39)H(47)NO(7)·0.5C(2)H(5)OH·0.5 H(2)O, is connected to one 3,3,6,6-tetra-methyl-1,8-dioxoxanthenyl and one 4a-hy-droxy-3,3,6,6-tetra-methyl-1,8-dioxodeca-hydroxanthenyl substituent in the 2- and 6-positions of the ring. In the former substituent, the six-membered xanthenyl ring adopts a flattened envelope conformation (with the methine C atom as the fl...
متن کامل9-(7-Fluoro-4-oxo-4H-chromen-3-yl)-3,3,6,6-tetramethyl-2,3,4,5,6,7,8,9-octahydro-1H-xanthene-1,8-dione
In the title compound, C(26)H(25)FO(5), the terminal cyclo-hexane rings of the xanthene ring system adopt half-boat conformations. The 4H-chromene ring make a dihedral angle of 87.94 (5)° with the xanthene ring system and its carbonyl O atom lies above the xanthene O atom. In the crystal, mol-ecules are linked into ribbons propagating along the a-axis direction by C-H⋯O hydrogen bonds. Aromatic...
متن کامل9-(4-Hydroxy-3,5-dimethoxyphenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
In the title compound, C(25)H(30)O(6), the two fused cyclo-hexa-none rings have envelope conformations, whereas the central pyran ring is roughly planar [mximum deviation = 0.045 (2) Å]. The pyran and benzene rings are almost perpendicular to each other, making a dihedral angle of 86.32 (2)°. In the crystal, molecules are linked via pairs of O-H⋯O hydrogen bonds, forming inversion dimers.
متن کامل9-(2,4-Dinitrophenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
In the title compound, C(23)H(24)N(2)O(7), the central 4H-pyran ring adopts a flattened boat conformation, whereas both cyclo-hexenone rings adopt envelope conformations, the C atom bearing the dimethyl substituent being the flap atom in each case. The mean and maximum deviation of the pyran ring are 0.0379 (4) and 0.0605 (3) Å. The mean plane of the pyran ring and the dinitro-benzene ring make...
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عنوان ژورنال:
دوره 66 شماره
صفحات -
تاریخ انتشار 2010