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Table 3 Crystallographic data for acetamidinium oxalate (7) and acetamidinium perchlorate (8).

From: Synthesis and properties of acetamidinium salts

Compound 7 8
Empirical formula C6H14N4O4 C2H7ClN2O4
Crystal system orthorhombic monoclinic
Space group F d d 2 P 21
a (Å) 17.2882(9) 4.8420(3)
b (Å) 7.3029(11) 10.8421(15)
c (Å) 16.7051(12) 6.0140(8)
α = γ(°) 90 90
β(°) 90 93.709(8)
Z 8 2
V3) 2109.1(4) 315.06(6)
Dc/g cm-3 1.299 1.671
Crystal size (mm) 0.32 × 0.26 × 0.18 0.35 × 0.25 × 0.17
Crystal shape Colorless block Colorless plate
μ(mm-1) 0.109 0.555
F (000) 880 164
h; k; l range -20, 20; -9, 8; -21, 17 -5, 6; -14, 12; -6, 7
θrange/° 3.26; 27.5 3.39; 27.49
Reflections measured 2586 2448
- independent (Rint)a) 1003 (0.0315) 1302 (0.0403)
- observed [I > 2σ(I)] 736 1252
Parameters refined 62 82
Max/min Δρ/eÅ-3 0.167/-0.211 0.364/-0.379
GOFb) 1.079 1.071
R c)/wR c) 0.0405/0.0890 0.0315/0.0766
  1. a) Rint = Σ|Fo2 - Fo, mean2|/ΣFo2, b) GOF = [Σ(w(Fo2 - Fc2)2)/(Ndiffrs - Nparams)]1/2 for all data, c) R(F) = Σ||Fo| - |Fc||/Σ|Fo|for observed data, wR(F2) = [Σ(w(Fo2 - Fc2)2)/(Σw(Fo2)2)]1/2 for all data.