|
thio (C)
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 |
1995 |
9996 |
|
|
| any polar X-H (X= N,O or S) |
224 |
2861 |
|
|
* 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 |
872 |
3829 |
|
|
| methylene |
116 |
975 |
|
|
| methyl |
68 |
1016 |
|
|
| any aromatic C-H |
213 |
1838 |
|
|
| substituted aromatic carbon |
52 |
838 |
|
|
| phenyl |
22 |
131 |
|
|
* 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 |
32 |
759 |
|
|
| any uncharged NH |
11 |
* |
|
|
| any cationic NH |
19 |
* |
|
|
| aromatic cationic N-H |
|
* |
|
|
| amide NH |
10 |
208 |
|
|
| uncharged C(sp2)/C(ar)-NH2 |
|
* |
|
|
| cationic RNH3 |
13 |
21 |
|
|
| 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 |
47 |
1995 |
|
|
| alcohol OH |
10 |
713 |
|
|
| phenol OH |
|
24 |
|
|
| water |
9 |
1237 |
|
|
* 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 |
4 |
593 |
|
|
| cyano |
|
15 |
|
|
| pyramidal R3N |
|
* |
|
|
| uncharged planar R3N |
4 |
144 |
|
|
| cationic planar R3N |
|
26 |
|
|
|
| any terminal O |
129 |
1320 |
|
|
| any C=O |
96 |
1320 |
|
|
| amide C=O |
18 |
233 |
|
|
| ester C=O |
6 |
36 |
|
|
| carboxylate |
17 |
361 |
|
|
| aliphatic ether |
1 |
|
|
|
| linking O in esters |
5 |
10 |
|
|
| aromatic O |
2 |
25 |
|
|
| sulfoxide/sulfone O |
3 |
11 |
|
|
| nitro |
6 |
* |
|
|
* 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 |
204 |
957 |
|
|
| any C=S |
|
4 |
|
|
| aliphatic thioether |
3 |
18 |
|
|
| aromatic S |
1 |
19 |
|
|
* 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 |
11 |
82 |
|
|
| any C-Cl |
|
40 |
|
|
| any C-Br |
3 |
11 |
|
|
| any C-I |
|
4 |
|
|
| chloride ion |
10 |
5 |
|
|
| bromide ion |
5 |
|
|
|
| iodide ion |
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
|
Alkali Metal
|
|
Links to statistical data |
Links to theoretical energy data |
| Contact Group |
CSD |
PDB |
Stats |
Theory |
| lithium ion |
|
|
|
|
| sodium ion |
|
|
|
|
| potassium ion |
|
|
|
|
| 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 |
|
117 |
|
|
| imidazole |
* |
43 |
|
|
| guanidinium |
* |
56 |
|
|
* This search has not been done.
|
|
