3,4-diaminopyridinium bis(perchlorate) has been synthesized and its crystal structure has been solved by single crystal X-ray diffraction. The optical and magnetic properties of the N1, N4 protonated 3,4-diaminopyridinium dication have been elucidated in solution and in the solid-state by means of linear-polarized solid state IR-spectroscopy (IR-LD), UV-spectroscopy, TGA, DSC, and positive and negative ESI MS. Quantum chemical calculations were used to obtain the electronic structure, vibrational data, and electronic spectra of the dication. The studied compound crystallizes in the noncentrosymmetric space group Cc and exhibits infinite molecular chains formed by 3,4-diaminopyridinium dications and ClO 4 -anions along the c-axis by moderate intermolecular NH 3 + ÁÁÁOClO 3 -interactions with bond lengths of 3.031, 3.024, 2.825, and 2.875 Å . The NH group participates in intermolecular NHÁÁÁOClO 3 -contacts with bond lengths of 3.220 and 3.172 Å , respectively. The effect of N1, N4 diprotonation on the optical and magnetic properties of the 3,4-diaminopyridinium dication is discussed.
Key indicators: single-crystal X-ray study; T = 294 K; mean (C-C) = 0.004 Å; R factor = 0.066; wR factor = 0.189; data-to-parameter ratio = 11.0.Anions and cations of the title compound, C 5 H 8 N 3 + ÁC 4 HO 4 À , are connected by moderately strong intermolecular N-HÁ Á ÁO hydrogen bonds into an infinite three-dimensional network. Hydrogen squarate anions form dimers through strong O-HÁ Á ÁO interactions.
Related literatureFor related literature, see: Kolev et al. (2004, 2007); Kolev, Fiser et al. (2005); Kolev, Wortmann et al. (2005).
ExperimentalCrystal data C 5 H 8 N 3 + ÁC 4 HO 4 À M r = 223.19 Monoclinic, P2 1 =c a = 10.069 (2) Å b = 7.1925 (14) Å c = 13.480 (3) Å = 96.56 (3) V = 969.8 (3) Å 3 Z = 4 Mo K radiation = 0.12 mm À1 T = 294 (2) K 0.58 Â 0.48 Â 0.46 mm Data collection Siemens P4 four-circle diffractometer Absorption correction: scan (XPREP; Sheldrick, 1995) T min = 0.844, T max = 0.938 2310 measured reflections 1698 independent reflections 1172 reflections with I > 2(I) R int = 0.044 3 standard reflections every 100 reflections intensity decay: 1%
The economic aspects of evaluation of logistic systems are presented in the paper and factors for differentiated evaluation of the financial state, purchasing power, the population with its number and ethnicity and specific preferences, the mass consumption in the region, the trade in the country and abroad, variety, quality and the corresponding competitive price.
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.