|
trifluoromethyl
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 |
9994 |
5048 |
|
|
| any polar X-H (X= N,O or S) |
4997 |
1042 |
|
|
* 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 |
4963 |
2425 |
|
|
| methylene |
1998 |
520 |
|
|
| methyl |
1998 |
1010 |
|
|
| any aromatic C-H |
4979 |
665 |
|
|
| substituted aromatic carbon |
2496 |
44 |
|
|
| phenyl |
1427 |
246 |
|
|
* 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 |
4945 |
483 |
|
|
| any uncharged NH |
2415 |
* |
|
|
| any cationic NH |
1507 |
* |
|
|
| aromatic cationic N-H |
411 |
* |
|
|
| amide NH |
559 |
264 |
|
|
| uncharged C(sp2)/C(ar)-NH2 |
357 |
* |
|
|
| cationic RNH3 |
218 |
19 |
|
|
| cationic R3NH |
41 |
* |
|
|
* 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 |
4942 |
522 |
|
|
| alcohol OH |
1104 |
97 |
|
|
| phenol OH |
234 |
46 |
|
|
| water |
1006 |
379 |
|
|
* 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 |
2850 |
31 |
|
|
| cyano |
1332 |
|
|
|
| pyramidal R3N |
81 |
* |
|
|
| uncharged planar R3N |
1196 |
2 |
|
|
| cationic planar R3N |
176 |
|
|
|
|
| any terminal O |
4997 |
623 |
|
|
| any C=O |
4992 |
623 |
|
|
| amide C=O |
921 |
441 |
|
|
| ester C=O |
1352 |
|
|
|
| carboxylate |
768 |
53 |
|
|
| aliphatic ether |
504 |
|
|
|
| linking O in esters |
874 |
|
|
|
| aromatic O |
257 |
|
|
|
| sulfoxide/sulfone O |
293 |
|
|
|
| nitro |
955 |
* |
|
|
* 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 |
4953 |
138 |
|
|
| any C=S |
239 |
|
|
|
| aliphatic thioether |
120 |
98 |
|
|
| aromatic S |
1206 |
|
|
|
* 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 |
4961 |
|
|
|
| any C-Cl |
4997 |
|
|
|
| any C-Br |
1292 |
|
|
|
| any C-I |
352 |
|
|
|
| chloride ion |
113 |
|
|
|
| bromide ion |
21 |
|
|
|
| iodide ion |
14 |
|
|
|
* 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 |
18 |
|
|
|
| sodium ion |
64 |
|
|
|
| potassium ion |
227 |
|
|
|
| rubidium ion |
8 |
|
|
|
| cesuim ion |
256 |
|
|
|
* 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 |
132 |
68 |
|
|
| imidazole |
* |
170 |
|
|
| guanidinium |
* |
54 |
|
|
* This search has not been done.
|
|
