|
| Calculation (cm−1) | Experimental
(cm−1) | Band assignment |
| IR | Raman |
| Cryst. | Amorp. | Cryst. | Amorp. |
|
| 836 | 821 | 820 | 819 | 822 | C–S s in 5-thia-1-azobicyclic structure + C–C s between 5-thia-1-azobicyclic structure and ((aminocarbonyl) oxy)methyl group + C–C–C b in furanyl ring and in β-lactam ring |
| 878 | 863 | 864 | 863 | 863 | CH3 w and O–C–O b in (acetyloxy)ethyl group + N–O s in methoxyimino group + def. modes in furanyl ring |
| 891 | 886 | 885 | 886 | 883 | N–O s and C–C s in (methoxyimino)acetyl group + C–C–C b in furanyl ring + C–O s in (acetyloxy)ethyl group + C–C s in β-lactam ring |
| 958 | 940 | 943 | 940 | 936 | C–O s and C–C s in (acetyloxy)ethyl group |
| 990 | 950 | — | 953 | 952 | C–C s in 5-thia-1-azobicyclic structure + CH2 r and NH2 r in ((aminocarbonyl) oxy)methyl group |
| 1027 | 984 | 982 | — | — | def. in 5-thia-1-azobicyclic structure (C–C s) + CH2 and C–O s r in (acetyloxy)ethyl group and for amide group in furanyl (methoxyimino) acetyl group |
| 1061 | 1012 | 1010 | 1012 | 1012 | C–C s and C–H sc in furanyl ring + N–O s and C–N s in furanyl (methoxyimino)acetyl group |
| 1088 | 1044 | 1043 | — | — | C–O s in OCH3 in furanyl (methoxyimino)acetyl group |
| 1096 | 1055 | — | 1056 | — | C–O s and C–N s in ((aminocarbonyl) oxy)methyl group + O–C=N b in 5-thia-1-azobicyclic structure |
| 1118 | 1077 | 1073 | 1080 | 1076 | NH2 r in ((aminocarbonyl) oxy)methyl group |
| 1132 | 1104 | 1111 | 1113 | 1111 | C–O s, C–H s,and O in (acetyloxy)ethyl group |
| 1234 | 1223 | 1228 | 1232 | 1230 | C–H w |
| 1274 | 1264 | — | 1265 | 1269 | C–O s in (acetyloxy)ethyl group between O and C and C–H w in ((aminocarbonyl) oxy)methyl group |
| 1330 | 1302 | 1303 | 1303 | 1304 | C–N s and C–C s in 5-thia-1-azobicyclic structure + C–C s between 5-thia-1-azobicyclic structure and ((aminocarbonyl) oxy)methyl and (acetyloxy)ethyl groups + CH2 w at 5-thia-1-azobicyclic structure and in ((aminocarbonyl) oxy)methyl group |
| 1357 | 1335 | 1330 | 1335 | — | C–O s, C–N s, and CH2 w in furanyl (methoxyimino)acetyl group |
| 1414 | 1406 | 1396 | 1404 | — | CH3 sc in (acetyloxy)ethyl group |
| 1441 | 1419 | — | — | — | CH2 w in ((aminocarbonyl) oxy)methyl |
| 1522 | 1483 | 1484 | 1484 | 1484 | C=C s in furanyl ring + C–C s, N–H r, and CH2 sc (in CH3 group) between furanyl ring and NOCH3 group in (methoxyimino)acetyl group |
| 1567 | 1527 | 1539 | — | — | C=N s and N–H w in furanyl (methoxyimino)acetyl group |
| 1621 | 1626 | 1636 | — | — | NH2 sc in ((aminocarbonyl) oxy)methyl group |
| 1631 | | | 1584 | 1594 | C=C s in furanyl ring + C=N s in (methoxyimino)acetyl group |
| 1686 | 1652 | — | 1651 | — | C=C s in 5-thia-1-azobicyclic structure |
| 1759 | 1709 | 1732 | 1714 | — | C=O s in (methoxyimino)acetyl group |
| 1814 | 1749 | — | 1749 | — | C=O s in (acetyloxy)ethyl groups |
| 1832 | 1772 | — | — | — | C=O s in (acetyloxy)ethyl groups + C=O s in ((aminocarbonyl) oxy)methyl |
| 1890 | 1779 | 1781 | 1779 | 1787 | C=O s at 5-thia-1-azobicyclic structure |
| 3587 | 3418 | — | — | — | N–H s w (methoxyimino)acetyl group |
| 3621 | — | — | — | — | NH2 s symmetric in NH2 group in ((aminocarbonyl) oxy)methyl |
| 3756 | 3499 | 3481 | — | — | NH2 s antisymmetric in NH2 group in ((aminocarbonyl) oxy)methyl |
|
