|
aromatic iodo
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 |
9995 |
714 |
|
|
| any polar X-H (X= N,O or S) |
1930 |
144 |
|
|
* 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 |
4997 |
317 |
|
|
| methylene |
1997 |
98 |
|
|
| methyl |
1998 |
94 |
|
|
| any aromatic C-H |
4977 |
94 |
|
|
| substituted aromatic carbon |
2482 |
17 |
|
|
| phenyl |
1427 |
27 |
|
|
* 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 |
908 |
58 |
|
|
| any uncharged NH |
547 |
* |
|
|
| any cationic NH |
117 |
* |
|
|
| aromatic cationic N-H |
71 |
* |
|
|
| amide NH |
149 |
16 |
|
|
| uncharged C(sp2)/C(ar)-NH2 |
151 |
* |
|
|
| cationic RNH3 |
17 |
4 |
|
|
| 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 |
1022 |
82 |
|
|
| alcohol OH |
142 |
14 |
|
|
| phenol OH |
198 |
3 |
|
|
| water |
235 |
65 |
|
|
* 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 |
1682 |
|
|
|
| cyano |
267 |
|
|
|
| pyramidal R3N |
143 |
* |
|
|
| uncharged planar R3N |
143 |
3 |
|
|
| cationic planar R3N |
43 |
|
|
|
|
| any terminal O |
2428 |
119 |
|
|
| any C=O |
1620 |
119 |
|
|
| amide C=O |
240 |
28 |
|
|
| ester C=O |
293 |
|
|
|
| carboxylate |
51 |
8 |
|
|
| aliphatic ether |
68 |
|
|
|
| linking O in esters |
116 |
|
|
|
| aromatic O |
68 |
|
|
|
| sulfoxide/sulfone O |
93 |
|
|
|
| nitro |
401 |
* |
|
|
* 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 |
749 |
15 |
|
|
| any C=S |
233 |
|
|
|
| aliphatic thioether |
17 |
6 |
|
|
| aromatic S |
66 |
|
|
|
* 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 |
3189 |
|
|
|
| any C-Cl |
758 |
|
|
|
| any C-Br |
439 |
|
|
|
| any C-I |
4964 |
|
|
|
| chloride ion |
160 |
|
|
|
| bromide ion |
111 |
|
|
|
| iodide ion |
271 |
|
|
|
* 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 |
6 |
|
|
|
| potassium ion |
6 |
|
|
|
| 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 |
26 |
15 |
|
|
| imidazole |
* |
6 |
|
|
| guanidinium |
* |
11 |
|
|
* This search has not been done.
|
|
