Crystal Structure and Vibrational Spectra of N,N{sup '}-Di(2,4-Dinitrophenyl)diaza-18-Crown-6 and N,N{sup '}-Di(tetrafluoropyridyl)diaza-18-Crown-6
- Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences, Leninskii pr. 31, Moscow, 119991 (Russian Federation)
- Moscow State University, Vorob'evy gory, Moscow, 119992 (Russian Federation)
Two new diaza-18-crown-6 derivatives, namely, N,N{sup '}-di(2,4-dinitrophenyl)diaza-18-crown-6 (I) and N,N{sup '}-di(tetrafluoropyridyl)diaza-18-crown-6 (II), are studied using X-ray diffraction. The vibrational spectra of these compounds are measured and analyzed. Crystals I are monoclinic, a = 9.746(2) A, b = 12.117(4) A, c = 11.378(6) A, {beta} = 98.90(3) deg., V = 1327.5(4) A{sup 3}, Z = 2, space group P2{sub 1}/c, and R = 0.055 for 1013 reflections with I > 2{sigma}(I). Crystals II are orthorhombic, a = 8.225(4) A, b = 11.816(4) A, c = 24.626(5) A, V = 2393.3(9) A{sup 3}, Z = 4, space group Pbca, and R = 0.035 for 451 reflections with I > 2{sigma}(I) . Molecules I and II have a centrosymmetric structure and different conformations. It is demonstrated that the shape and size of the cavity and the conformation of the macrocycle depend substantially on the structure of the substituents at the nitrogen atoms of diaza-18-crown-6.
- OSTI ID:
- 20666226
- Journal Information:
- Crystallography Reports, Vol. 49, Issue 6; Other Information: Translated from Kristallografiya, ISSN 0023-4761, 49, 1080-1086 (No. 6, 2004); DOI: 10.1134/1.1828143; (c) 2004 MAIK ''Nauka / Interperiodica''; Country of input: International Atomic Energy Agency (IAEA); TN:; ISSN 1063-7745
- Country of Publication:
- United States
- Language:
- English
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