|
4-fluorophenyl
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 |
9935 |
2503 |
|
|
| any polar X-H (X= N,O or S) |
2577 |
530 |
|
|
* 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 |
4993 |
1199 |
|
|
| methylene |
1997 |
306 |
|
|
| methyl |
1997 |
534 |
|
|
| any aromatic C-H |
4993 |
315 |
|
|
| substituted aromatic carbon |
2496 |
29 |
|
|
| phenyl |
1426 |
72 |
|
|
* 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 |
1163 |
228 |
|
|
| any uncharged NH |
660 |
* |
|
|
| any cationic NH |
93 |
* |
|
|
| aromatic cationic N-H |
40 |
* |
|
|
| amide NH |
205 |
106 |
|
|
| uncharged C(sp2)/C(ar)-NH2 |
101 |
* |
|
|
| cationic RNH3 |
25 |
12 |
|
|
| cationic R3NH |
2 |
* |
|
|
* 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 |
1414 |
299 |
|
|
| alcohol OH |
450 |
46 |
|
|
| phenol OH |
174 |
26 |
|
|
| water |
329 |
227 |
|
|
* 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 |
1699 |
9 |
|
|
| cyano |
540 |
|
|
|
| pyramidal R3N |
59 |
* |
|
|
| uncharged planar R3N |
308 |
4 |
|
|
| cationic planar R3N |
16 |
|
|
|
|
| any terminal O |
4924 |
400 |
|
|
| any C=O |
4079 |
400 |
|
|
| amide C=O |
454 |
262 |
|
|
| ester C=O |
788 |
|
|
|
| carboxylate |
117 |
36 |
|
|
| aliphatic ether |
155 |
|
|
|
| linking O in esters |
373 |
|
|
|
| aromatic O |
239 |
|
|
|
| sulfoxide/sulfone O |
238 |
|
|
|
| nitro |
363 |
* |
|
|
* 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 |
1214 |
24 |
|
|
| any C=S |
258 |
|
|
|
| aliphatic thioether |
41 |
20 |
|
|
| aromatic S |
203 |
|
|
|
* 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 |
4993 |
|
|
|
| any C-Cl |
1238 |
|
|
|
| any C-Br |
368 |
|
|
|
| any C-I |
65 |
|
|
|
| chloride ion |
117 |
|
|
|
| bromide ion |
75 |
|
|
|
| iodide ion |
9 |
|
|
|
* 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 |
|
|
|
|
| sodium ion |
|
|
|
|
| potassium ion |
7 |
|
|
|
| rubidium ion |
|
|
|
|
| cesuim ion |
|
|
|
|
* 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 |
70 |
24 |
|
|
| imidazole |
* |
31 |
|
|
| guanidinium |
* |
52 |
|
|
* This search has not been done.
|
|
