|
aliphatic-aliphatic methylene
General|
C,H only|
N-H|
O-H|
Other N or O|
Sulfur|
Halo/halide|
Alkali Metal|
Amino acid
|
General
|
 Links to statistical data |
 Links to theoretical energy data |
| Contact Group |
CSD |
PDB |
Stats |
Theory |
| any C,N,O,S or H |
|
9976 |
|
|
| any polar X-H (X= N,O or S) |
4997 |
3866 |
|
|
* This search has not been done.
General|
C,H only|
N-H|
O-H|
Other N or O|
Sulfur|
Halo/halide|
Alkali Metal|
Amino acid
|
C,H only
|
|
Links to statistical data |
Links to theoretical energy data |
| Contact Group |
CSD |
PDB |
Stats |
Theory |
| any alkyl C-H |
|
3503 |
|
|
| methylene |
1998 |
606 |
|
|
| methyl |
|
2180 |
|
|
| any aromatic C-H |
4997 |
3152 |
|
|
| substituted aromatic carbon |
2498 |
510 |
|
|
| phenyl |
1427 |
1428 |
|
|
* This search has not been done.
General|
C,H only|
N-H|
O-H|
Other N or O|
Sulfur|
Halo/halide|
Alkali Metal|
Amino acid
|
N-H
|
|
Links to statistical data |
Links to theoretical energy data |
| Contact Group |
CSD |
PDB |
Stats |
Theory |
| any NH |
4962 |
656 |
|
|
| any uncharged NH |
4987 |
* |
|
|
| any cationic NH |
1776 |
* |
|
|
| aromatic cationic N-H |
239 |
* |
|
|
| amide NH |
1665 |
148 |
|
|
| uncharged C(sp2)/C(ar)-NH2 |
692 |
* |
|
|
| cationic RNH3 |
617 |
53 |
|
|
| cationic R3NH |
8 |
* |
|
|
* This search has not been done.
General|
C,H only|
N-H|
O-H|
Other N or O|
Sulfur|
Halo/halide|
Alkali Metal|
Amino acid
|
O-H
|
|
Links to statistical data |
Links to theoretical energy data |
| Contact Group |
CSD |
PDB |
Stats |
Theory |
| any OH |
4997 |
2832 |
|
|
| alcohol OH |
3331 |
416 |
|
|
| phenol OH |
3253 |
557 |
|
|
| water |
3317 |
1859 |
|
|
* This search has not been done.
General|
C,H only|
N-H|
O-H|
Other N or O|
Sulfur|
Halo/halide|
Alkali Metal|
Amino acid
|
Other N or O
|
|
Links to statistical data |
Links to theoretical energy data |
| Contact Group |
CSD |
PDB |
Stats |
Theory |
| aromatic or sp2 N |
3331 |
59 |
|
|
| cyano |
3331 |
|
|
|
| pyramidal R3N |
176 |
* |
|
|
| uncharged planar R3N |
1952 |
1 |
|
|
| cationic planar R3N |
193 |
|
|
|
|
| any terminal O |
4997 |
1815 |
|
|
| any C=O |
4997 |
1815 |
|
|
| amide C=O |
1665 |
915 |
|
|
| ester C=O |
1998 |
|
|
|
| carboxylate |
2498 |
902 |
|
|
| aliphatic ether |
1182 |
|
|
|
| linking O in esters |
1911 |
|
|
|
| aromatic O |
416 |
|
|
|
| sulfoxide/sulfone O |
1126 |
|
|
|
| nitro |
2498 |
* |
|
|
* This search has not been done.
General|
C,H only|
N-H|
O-H|
Other N or O|
Sulfur|
Halo/halide|
Alkali Metal|
Amino acid
|
Sulfur
|
|
Links to statistical data |
Links to theoretical energy data |
| Contact Group |
CSD |
PDB |
Stats |
Theory |
| any S |
9908 |
397 |
|
|
| any C=S |
3522 |
|
|
|
| aliphatic thioether |
433 |
356 |
|
|
| aromatic S |
3310 |
|
|
|
* This search has not been done.
General|
C,H only|
N-H|
O-H|
Other N or O|
Sulfur|
Halo/halide|
Alkali Metal|
Amino acid
|
Halo/Halide
|
|
Links to statistical data |
Links to theoretical energy data |
| Contact Group |
CSD |
PDB |
Stats |
Theory |
| any C-F |
4996 |
|
|
|
| any C-Cl |
4997 |
|
|
|
| any C-Br |
4280 |
|
|
|
| any C-I |
1608 |
|
|
|
| chloride ion |
2742 |
|
|
|
| bromide ion |
1641 |
|
|
|
| iodide ion |
748 |
|
|
|
* This search has not been done.
General|
C,H only|
N-H|
O-H|
Other N or O|
Sulfur|
Halo/Halide|
Alkali Metal|
Amino acid
|
Alkali Metal
|
|
Links to statistical data |
Links to theoretical energy data |
| Contact Group |
CSD |
PDB |
Stats |
Theory |
| lithium ion |
44 |
|
|
|
| sodium ion |
271 |
|
|
|
| potassium ion |
219 |
|
|
|
| rubidium ion |
32 |
|
|
|
| cesuim ion |
19 |
|
|
|
* This search has not been done.
General|
C,H only|
N-H|
O-H|
Other N or O|
Sulfur|
Halo/halide|
Alkali Metal|
Amino acid
|
Amino acid
|
|
Links to statistical data |
Links to theoretical energy data |
| Contact Group |
CSD |
PDB |
Stats |
Theory |
| CONH2 |
1061 |
569 |
|
|
| imidazole |
* |
551 |
|
|
| guanidinium |
* |
268 |
|
|
* This search has not been done.
|
|
