X-ray mapping in heterocyclic design: 17. Crystal and molecular structures of the 'molecule of the month'; and its hydrogenated form
- Moscow State University, Department of Chemistry (Russian Federation)
The structures of 2,8-dimethyl-5-[2-(6-methylpyridin-3-yl)ethyl]-2,3,4,4a,5, 9b-hexahydro1H-pyrido[4,3-b]indole trihydrobromide (I) (a = 12.865(4) Angstrom-Sign , b = 14.281(3) Angstrom-Sign , c = 13.553(3) Angstrom-Sign , Z = 4, sp. gr. Pna2{sub 1}) and 2,8-dimethyl-5-[2-(6-methylpyridin-3-yl)ethyl]-2,3,4,5-tetrahydro-1H-pyrido [4,3-b]indole dihydrobromide (II) (a = 13.9704(14) Angstrom-Sign , b = 14.4447(15) Angstrom-Sign , c = 10.7819(12) Angstrom-Sign , {beta} = 107.58(1) Degree-Sign , Z = 4, sp. gr. P2{sub 1}/c) were studied by single-crystal X-ray diffraction. The structures were solved by direct methods and refined by the full-matrix least-squares method with anisotropic displacement parameters to the R factors of 0.0603 and 0.0446, respectively. All Br{sup -} anions form hydrogen bonds with protonated nitrogen atoms. The synthesis and physicochemical parameters of these two compounds are reported.
- OSTI ID:
- 22054341
- Journal Information:
- Crystallography Reports, Vol. 56, Issue 1; Other Information: Copyright (c) 2011 Pleiades Publishing, Ltd.; Country of input: International Atomic Energy Agency (IAEA); ISSN 1063-7745
- Country of Publication:
- United States
- Language:
- English
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