title: Structure of an antitumour drug: 9-hydroxy-2,5,11-trimethyl-6H-pyridol[4,3-b]-carbazolium acetate (9-hydroxy-2-methylellipticinium acetate; Celiptium) dihydrate.
abstract: C18H17N2O. C2H3O2. 2H3O, Mr = 336.2, monoclinic, C2/c, alpha = 21.789 (2), b = 12.853 (1), c = 14.004 (2) A, beta = 114.80 (1) degree, V = 3560.2 A3, Z = 8, Dm = 1.24, Dx = 1.255 Mg m3, lambda (Cu K alpha) = 1.54178 A, mu = 0.754 mm-1, F(000) = 1584, T = 298 K, R = 0.052 for 2236 observed reflections. Antitumor drug. The crystal structure involves the packing of resonant rings held together by a network of hydrogen bonds involving hydroxyl groups, acetate ions and water molecules. The main feature is the two stacking patterns found together in the crystal structure; this feature appears to differ from other derivatives.
authors.affiliation: Laboratoire de Cristallographie et de Physique Cristalline (UA 144 CNRS), Université de Bordeaux I 33405 Talence, France.
authors.forename: A
authors.initials: A
authors.lastname: Salahou
authors.forename: C
authors.initials: C
authors.lastname: Courseille
authors.forename: C C
authors.initials: CC
authors.lastname: Tsai
mesh_terms: D000470:Alkaloids; D000970:Antineoplastic Agents; D004611:Ellipticines; D006860:Hydrogen Bonding; D008958:Models, Molecular; D015394:Molecular Structure; D013329:Structure-Activity Relationship; D014961:X-Ray Diffraction
chemical_list: D000470:Alkaloids; D000970:Antineoplastic Agents; D004611:Ellipticines; C027767:elliptinium