Table 3 Crystallographic data for acetamidinium oxalate (7) and acetamidinium perchlorate (8).
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 |
V (Å3) | 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 |