Table 2. Scattering factor assigned during invariom refinement with atom names, invariom names, local atomic site symmetry and model compounds they were derived from.
Atom name | Invariom name | Local atomic site symmetry | Model compound |
---|---|---|---|
O1 | O2c | mm2 | Formaldehyde |
O2 | O1c1h | m z | Methanol |
O3 | O1.5c[1.5n1c] | mm2 | Acetamide |
O4 | O1c1h | m z | Methanol |
O5 | O1h1h | mm2 | Water |
N1 | N1.5c[1.5o1c]1c1c | m z | N,N-Dimethylacetamide |
C1 | C2o1o1c | m z | Acetic acid |
C2 | C1n1c1c1h | m z | 2-Aminopropane |
C3 | C1c1c1h1h | mm2 | Propane |
C4 | C1o1c1c1h | m z | 2-Propanol |
C5 | C1n1c1h1h | m z | Ethylamine |
C6 | C1.5o1.5n[1c1c]1c | m z | N,N-Dimethylacetamide |
C7 | C1c1h1h1h | 3m | Ethane |
H1,2 | H1o[1c] | 6 | Methanol |
H3 | H1c[1n1c1c] | 6 | 2-Aminopropane |
H4,5 | H1c[1c1c1h] | 6 | Propane |
H6 | H1c[1o1c1c] | 6 | 2-Propanol |
H7,8 | H1c[1n1c1h] | 6 | Ethylamine |
H9,10,11 | H1c[1c1h1h] | 6 | Ethane |
H12,13 | H1o[1h] | 6 | Water |