Collect. Czech. Chem. Commun.
1985, 50, 1764-1773
https://doi.org/10.1135/cccc19851764
The crystal and molecular structure of 3-N-pyridylsydnone
Jindřich Hašeka, Paul T. Beurskensb, Jiří Obrdac, Stanislav Nešpůreka, Hendrik Schenkd, Kees Goubitzd, Karel Humla and Jan Dirk Schagend
a Institute of Macromolecular Chemistry, Czechoslovak Academy of Sciences, 162 06 Prague 6, Czechoslovakia
b Laboratory of Crystallography, University of Nijmegen, Toernooiveld, 6525 ED Nijmegen, Netherlands
c Institute of Hydrodynamics, Czechoslovak Academy of Sciences, 166 12 Prague 6, Czechoslovakia
d Laboratory of Crystallography, University of Amsterdam, Nieuwa Achtergracht 166, 1018 WS Amsterdam, Netherlands
Abstract
The title compound studied for its photochromic properties crystallizes in the monoclinic system, the space group P2/c, a = 734.3(6), b = 933.3(8), c = 2 334(2) pm, β = 117.71(5)°, V = 1.416(2) nm3, Z = 8, measured and calculated density Dm = 1.51, Dx = 1.53 Mg m-3, λ(CuKα) = 154.178 pm, μ = 1.0 mm-1, F(000) = 672, Mr= 163.14, T = 296 K. Final R = 0.084 for 1 511 significant (I > 1.96σI) reflections. The molecules are roughly parallel with the (100) plane and are stacked so that the sydnone ring of the first independent molecule partly overlaps the pyridyl ring of the second independent molecule. This results in the infinite column of partly overlaping pyridyl and sydnone rings in distances 344(4) and 335(4) pm, parallel with the a axis. Symmetrically independent molecules simulate pseudo 21 axis.
