|
aromatic bromo
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 |
1840 |
|
|
| any polar X-H (X= N,O or S) |
4997 |
342 |
|
|
* 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 |
831 |
|
|
| methylene |
1999 |
243 |
|
|
| methyl |
1976 |
320 |
|
|
| any aromatic C-H |
4997 |
266 |
|
|
| substituted aromatic carbon |
2498 |
104 |
|
|
| phenyl |
1408 |
84 |
|
|
* 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 |
2989 |
141 |
|
|
| any uncharged NH |
1567 |
* |
|
|
| any cationic NH |
429 |
* |
|
|
| aromatic cationic N-H |
200 |
* |
|
|
| amide NH |
385 |
47 |
|
|
| uncharged C(sp2)/C(ar)-NH2 |
263 |
* |
|
|
| cationic RNH3 |
59 |
7 |
|
|
| cationic R3NH |
13 |
* |
|
|
* 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 |
3594 |
192 |
|
|
| alcohol OH |
724 |
24 |
|
|
| phenol OH |
864 |
14 |
|
|
| water |
613 |
154 |
|
|
* 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 |
2283 |
9 |
|
|
| cyano |
1121 |
|
|
|
| pyramidal R3N |
102 |
* |
|
|
| uncharged planar R3N |
733 |
2 |
|
|
| cationic planar R3N |
52 |
|
|
|
|
| any terminal O |
4997 |
215 |
|
|
| any C=O |
4997 |
215 |
|
|
| amide C=O |
600 |
89 |
|
|
| ester C=O |
1999 |
|
|
|
| carboxylate |
125 |
22 |
|
|
| aliphatic ether |
282 |
|
|
|
| linking O in esters |
1269 |
|
|
|
| aromatic O |
245 |
|
|
|
| sulfoxide/sulfone O |
207 |
|
|
|
| nitro |
1249 |
* |
|
|
* 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 |
2164 |
60 |
|
|
| any C=S |
366 |
|
|
|
| aliphatic thioether |
164 |
50 |
|
|
| aromatic S |
249 |
|
|
|
* 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 |
3059 |
|
|
|
| any C-Cl |
2913 |
|
|
|
| any C-Br |
4997 |
|
|
|
| any C-I |
490 |
|
|
|
| chloride ion |
112 |
|
|
|
| bromide ion |
115 |
|
|
|
| iodide ion |
36 |
|
|
|
* 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 |
11 |
|
|
|
| potassium ion |
36 |
|
|
|
| rubidium ion |
5 |
|
|
|
| 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 |
60 |
20 |
|
|
| imidazole |
* |
40 |
|
|
| guanidinium |
* |
34 |
|
|
* This search has not been done.
|
|
