|
tertiary C-H
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 |
9980 |
923 |
|
|
| any polar X-H (X= N,O or S) |
2681 |
384 |
|
|
* 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 |
4989 |
234 |
|
|
| methylene |
1983 |
33 |
|
|
| methyl |
1998 |
132 |
|
|
| any aromatic C-H |
4997 |
153 |
|
|
| substituted aromatic carbon |
634 |
17 |
|
|
| phenyl |
1427 |
78 |
|
|
* 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 |
1168 |
43 |
|
|
| any uncharged NH |
704 |
* |
|
|
| any cationic NH |
265 |
* |
|
|
| aromatic cationic N-H |
18 |
* |
|
|
| amide NH |
281 |
4 |
|
|
| uncharged C(sp2)/C(ar)-NH2 |
93 |
* |
|
|
| cationic RNH3 |
118 |
9 |
|
|
| 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 |
3326 |
319 |
|
|
| alcohol OH |
1315 |
48 |
|
|
| phenol OH |
314 |
72 |
|
|
| water |
686 |
199 |
|
|
* 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 |
669 |
|
|
|
| cyano |
798 |
|
|
|
| pyramidal R3N |
24 |
* |
|
|
| uncharged planar R3N |
73 |
|
|
|
| cationic planar R3N |
3 |
|
|
|
|
| any terminal O |
4010 |
268 |
|
|
| any C=O |
3451 |
268 |
|
|
| amide C=O |
1385 |
114 |
|
|
| ester C=O |
1472 |
|
|
|
| carboxylate |
378 |
224 |
|
|
| aliphatic ether |
283 |
|
|
|
| linking O in esters |
441 |
|
|
|
| aromatic O |
80 |
|
|
|
| sulfoxide/sulfone O |
120 |
|
|
|
| nitro |
706 |
* |
|
|
* 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 |
976 |
16 |
|
|
| any C=S |
166 |
|
|
|
| aliphatic thioether |
20 |
17 |
|
|
| aromatic S |
137 |
|
|
|
* 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 |
2855 |
|
|
|
| any C-Cl |
2363 |
|
|
|
| any C-Br |
360 |
|
|
|
| any C-I |
62 |
|
|
|
| chloride ion |
394 |
|
|
|
| bromide ion |
115 |
|
|
|
| iodide ion |
79 |
|
|
|
* 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 |
125 |
|
|
|
| potassium ion |
557 |
|
|
|
| rubidium ion |
24 |
|
|
|
| cesuim ion |
20 |
|
|
|
* 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 |
151 |
53 |
|
|
| imidazole |
* |
47 |
|
|
| guanidinium |
* |
23 |
|
|
* This search has not been done.
|
|
