|
aromatic cyano
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 |
1679 |
|
|
| any polar X-H (X= N,O or S) |
3507 |
496 |
|
|
* 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 |
671 |
|
|
| methylene |
1998 |
207 |
|
|
| methyl |
1976 |
240 |
|
|
| any aromatic C-H |
4997 |
285 |
|
|
| substituted aromatic carbon |
2498 |
29 |
|
|
| phenyl |
1427 |
74 |
|
|
* 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 |
2116 |
210 |
|
|
| any uncharged NH |
1234 |
* |
|
|
| any cationic NH |
128 |
* |
|
|
| aromatic cationic N-H |
33 |
* |
|
|
| amide NH |
124 |
68 |
|
|
| uncharged C(sp2)/C(ar)-NH2 |
392 |
* |
|
|
| cationic RNH3 |
16 |
16 |
|
|
| cationic R3NH |
10 |
* |
|
|
* 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 |
1391 |
282 |
|
|
| alcohol OH |
162 |
47 |
|
|
| phenol OH |
321 |
17 |
|
|
| water |
255 |
218 |
|
|
* 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 |
1302 |
3 |
|
|
| cyano |
3331 |
|
|
|
| pyramidal R3N |
14 |
* |
|
|
| uncharged planar R3N |
312 |
14 |
|
|
| cationic planar R3N |
50 |
|
|
|
|
| any terminal O |
1569 |
217 |
|
|
| any C=O |
1183 |
217 |
|
|
| amide C=O |
110 |
88 |
|
|
| ester C=O |
282 |
|
|
|
| carboxylate |
21 |
41 |
|
|
| aliphatic ether |
55 |
|
|
|
| linking O in esters |
172 |
|
|
|
| aromatic O |
66 |
|
|
|
| sulfoxide/sulfone O |
58 |
|
|
|
| nitro |
281 |
* |
|
|
* 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 |
1017 |
20 |
|
|
| any C=S |
88 |
|
|
|
| aliphatic thioether |
22 |
16 |
|
|
| aromatic S |
133 |
|
|
|
* 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 |
1070 |
|
|
|
| any C-Cl |
1094 |
|
|
|
| any C-Br |
310 |
|
|
|
| any C-I |
176 |
|
|
|
| chloride ion |
23 |
|
|
|
| bromide ion |
45 |
|
|
|
| iodide ion |
29 |
|
|
|
* 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 |
16 |
|
|
|
| potassium ion |
7 |
|
|
|
| rubidium ion |
1 |
|
|
|
| cesuim ion |
7 |
|
|
|
* 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 |
38 |
54 |
|
|
| imidazole |
* |
13 |
|
|
| guanidinium |
* |
76 |
|
|
* This search has not been done.
|
|
