Crystal structure of a new organic hydrogenmonophosphate adduct [2-NH2-6-CH3-C4H3N2O]2HPO4

2-Amino-4-methyl-6-oxo-3,6-dihydropyrimidin-1-ium perchlorate–2-amino-6-methylpyrimidin-4(1H)-one–water (1/1/1)

“…The C-N bond distances of the NH 2 groups, N3-C1 and N6-C6, are 1.311 (2) and 1.327 (2) Å, respectively, which is short for a C-N single bond, but still not quite as contracted as one would expect for a fully established C=N double bond. These bond length features are consistent with an imino resonance form as it is commonly found for C-N single bonds involving sp 2 hybridized C and N atoms (Oueslati et al, 2007). The distance values of C2-O5 [1.233 (2) Å] and C7-O6 [1.260 (2) Å] clearly indicate two C=O double bonds.…”

“…For general background to perchlorate salts with organic cations, see: Czarnecki et al (1994); Czupinski et al (2002Czupinski et al ( , 2006. For enamine-imino resonance, see: Oueslati et al (2007). Forstacking interactions, see: Janiak (2000).…”

Synthesis, growth, structural, optical and electrical properties of novel organic single crystal: p-toluidinium salicylate

“…The C-N bond distance of NH 2 group i.e., N1-C12 is 1.454 (3) Å, which is short for a C-N single bond, but still not quite as contracted as one would expect for a fully established C═N. These bond length features are consistent with amino resonance form as it is commonly found for C-N single bonds involving sp 2 hybridized C and N atoms [13][14]. The bond distances of C1-O2, C1-O1 are 1.262(3) and 1.270(3) Å, respectively.…”

“…Re Im . χ = χ + χ (13) it is observed that the closed aperture Z-scan curve of PTSA discloses the peak to valley configuration as well as it is an evidence for negative nonlinearity as illustrated in Fig. 13.…”

Supramolecular structure of unnatural nucleobases: Revised structure of (2:1) 6-methylisocytosinium dihydrogen monophosphate adduct

“…It is readily protonated in acidic conditions. RT X-ray diffraction studies of the monohydrogen phosphate adduct of 6-methylisocytosine, [2-NH 2 -6-CH 3 -C 4 H 3 N 2 O 2 ] 2 HPO 4 , Minvip, has been reported in 2007 and the adduct was obtained by adding concentrated phosphoric acid to a water solution of 6-methylisocytosine in (2:1) molar ratio [20]. The Authors identified in the asymmetric unit one phosphate anion HPO À2 4 and two organic fully protonated cations [2-NH 2 -6-CH 3 -C 4 H 3 N 2 O 2 ] + .…”