caa a22 4500 463238885 CHVBK 20180405153306.0 cr unu---uuuuu 170326e20070101xx s 000 0 eng 10.1007/s10947-007-0029-5 doi (NATIONALLICENCE)springer-10.1007/s10947-007-0029-5 Molecular structure of a zwitter-ionic 2-piperidinyl-4-dinitromethyl-1,3,5-triazin×(1H, 5H)-6-one salt [Elektronische Daten] [V. Bakharev, A. Gidaspov, E. Kosareva] A zwitter-ionic salt 2-piperidinyl-4-dinitromethyl-1,3,5-triazin(1H,5H)-6-one is studied by the single crystal X-ray analysis. The crystals are monoclinic: a = 11.526(1) Å, b = 9.211(1) Å, c = 12.182(1) Å; β = 110.69(1)°, V = 1209.9(2) Å3, space group P21/n; Z = 4, ρcalc = 1.560 g/cm3. The transformation of the dinitromethyl fragment conformation, the conjugation of one of nitrogroups with the 1,3,5-triazine ring, and an intramolecular hydrogen bond are revealed. The 1,3,5-triazine cycle is strongly distorted due to lactam-lactim tautomerism. Springer Science+Business Media, Inc., 2007 organic chemistry nationallicence molecular structure nationallicence zwitter-ionic salt of 2-piperidinyl-4-dinitromethyl-1,3,5-triazin(1H, 5H)-6-one nationallicence Bakharev V. Samara State Technical University, Samara aut Gidaspov A. Samara State Technical University, Samara aut Kosareva E. Samara State Technical University, Samara aut Journal of Structural Chemistry Kluwer Academic Publishers-Consultants Bureau 48/1(2007-01-01), 181-185 0022-4766 48:1<181 2007 48 10947 https://doi.org/10.1007/s10947-007-0029-5 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/s10947-007-0029-5 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Bakharev V. Samara State Technical University, Samara aut NATIONALLICENCE 700 1- Gidaspov A. Samara State Technical University, Samara aut NATIONALLICENCE 700 1- Kosareva E. Samara State Technical University, Samara aut NATIONALLICENCE 773 0- Journal of Structural Chemistry Kluwer Academic Publishers-Consultants Bureau 48/1(2007-01-01), 181-185 0022-4766 48:1<181 2007 48 10947 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer