Dimethylammonium 5,5-dimethyl-3-oxo-2-(3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octa hydro-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

作者：Hasanudin Noorhafizah; Rahim Aisyah Saad Abdul; Salhimi Salizawati Muhamad; Goh Jia Hao; Fun Hoong Kun^*

来源：Acta Crystallographica Section E-Structure Reports Online, 2010, 66: O470-U3465.

DOI：10.1107/S1600536810003107

The main molecule of the title compound, C(2)H(8)N(+)center dot C(25)H(31)O(5)(-)center dot C(25)H(32)O(5)center dot 0.5C(6)H(14)center dot H(2)O, exists as two crystallographically independent molecules, the hydroxy group of one being deprotonated. The pyran rings of both independent units adopt boat conformations. One of the two cyclohexene rings of the xanthene unit adopts an envelope conformation whereas the other is in a half-chair conformation. The cyclohexene ring attached to the xanthene unit adopts an envelope conformation. The n-hexane solvent molecule 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 center dot center dot center dot O, N-H center dot center dot center dot O and C-H center dot center dot center dot O hydrogen bonds, forming a three-dimensional network with channels along the a axis. The dimethylammonium cations and water molecules lie in small channels and are linked to the framework via O-H center dot center dot O and N-H center dot center dot center dot O hydrogen bonds. The n-hexane solvent molecules occupy large channels.

• 出版日期2010-2