|
4-methoxyphenyl
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 |
|
26 |
|
|
| any polar X-H (X= N,O or S) |
1996 |
3 |
|
|
* 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 |
1989 |
|
|
|
| methylene |
1247 |
|
|
|
| methyl |
1247 |
|
|
|
| any aromatic C-H |
|
63 |
|
|
| substituted aromatic carbon |
|
|
|
|
| phenyl |
998 |
|
|
|
* 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 |
1996 |
|
|
|
| any uncharged NH |
1637 |
* |
|
|
| any cationic NH |
175 |
* |
|
|
| aromatic cationic N-H |
84 |
* |
|
|
| amide NH |
445 |
|
|
|
| uncharged C(sp2)/C(ar)-NH2 |
226 |
* |
|
|
| cationic RNH3 |
28 |
1 |
|
|
| cationic R3NH |
|
* |
|
|
* 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 |
1996 |
6 |
|
|
| alcohol OH |
1160 |
5 |
|
|
| phenol OH |
574 |
|
|
|
| water |
630 |
|
|
|
* 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 |
1663 |
1 |
|
|
| cyano |
1663 |
|
|
|
| pyramidal R3N |
130 |
* |
|
|
| uncharged planar R3N |
743 |
|
|
|
| cationic planar R3N |
88 |
|
|
|
|
| any terminal O |
1996 |
|
|
|
| any C=O |
1996 |
|
|
|
| amide C=O |
905 |
|
|
|
| ester C=O |
1247 |
|
|
|
| carboxylate |
204 |
|
|
|
| aliphatic ether |
537 |
|
|
|
| linking O in esters |
1247 |
|
|
|
| aromatic O |
532 |
|
|
|
| sulfoxide/sulfone O |
427 |
|
|
|
| nitro |
1172 |
* |
|
|
* 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 |
2495 |
|
|
|
| any C=S |
594 |
|
|
|
| aliphatic thioether |
176 |
|
|
|
| aromatic S |
596 |
|
|
|
* 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 |
|
|
|
|
| any C-Cl |
1996 |
|
|
|
| any C-Br |
1081 |
|
|
|
| any C-I |
360 |
|
|
|
| chloride ion |
258 |
|
|
|
| bromide ion |
91 |
|
|
|
| iodide ion |
51 |
|
|
|
* 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 |
3 |
|
|
|
| potassium ion |
9 |
|
|
|
| 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 |
128 |
14 |
|
|
| imidazole |
* |
|
|
|
| guanidinium |
* |
4 |
|
|
* This search has not been done.
|
|
