|
aliphatic chloro
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 |
9913 |
267 |
|
|
| any polar X-H (X= N,O or S) |
4977 |
88 |
|
|
* 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 |
4973 |
119 |
|
|
| methylene |
1959 |
18 |
|
|
| methyl |
1993 |
59 |
|
|
| any aromatic C-H |
4995 |
38 |
|
|
| substituted aromatic carbon |
2483 |
6 |
|
|
| phenyl |
1415 |
11 |
|
|
* 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 |
4968 |
29 |
|
|
| any uncharged NH |
2785 |
* |
|
|
| any cationic NH |
543 |
* |
|
|
| aromatic cationic N-H |
189 |
* |
|
|
| amide NH |
692 |
10 |
|
|
| uncharged C(sp2)/C(ar)-NH2 |
274 |
* |
|
|
| cationic RNH3 |
111 |
4 |
|
|
| cationic R3NH |
8 |
* |
|
|
* 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 |
4540 |
59 |
|
|
| alcohol OH |
1191 |
5 |
|
|
| phenol OH |
750 |
1 |
|
|
| water |
759 |
53 |
|
|
* 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 |
3331 |
3 |
|
|
| cyano |
1883 |
|
|
|
| pyramidal R3N |
186 |
* |
|
|
| uncharged planar R3N |
2448 |
|
|
|
| cationic planar R3N |
147 |
|
|
|
|
| any terminal O |
4957 |
29 |
|
|
| any C=O |
4972 |
29 |
|
|
| amide C=O |
1630 |
11 |
|
|
| ester C=O |
1986 |
|
|
|
| carboxylate |
333 |
4 |
|
|
| aliphatic ether |
857 |
|
|
|
| linking O in esters |
1534 |
|
|
|
| aromatic O |
437 |
|
|
|
| sulfoxide/sulfone O |
575 |
|
|
|
| nitro |
1964 |
* |
|
|
* 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 |
7805 |
10 |
|
|
| any C=S |
743 |
|
|
|
| aliphatic thioether |
219 |
10 |
|
|
| aromatic S |
|
|
|
|
* 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 |
4997 |
|
|
|
| any C-Cl |
4934 |
|
|
|
| any C-Br |
2327 |
|
|
|
| any C-I |
495 |
|
|
|
| chloride ion |
776 |
|
|
|
| bromide ion |
225 |
|
|
|
| iodide ion |
157 |
|
|
|
* 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 |
2 |
|
|
|
| sodium ion |
10 |
|
|
|
| potassium ion |
31 |
|
|
|
| rubidium ion |
14 |
|
|
|
| cesuim ion |
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
|
Amino acid
|
|
Links to statistical data |
Links to theoretical energy data |
| Contact Group |
CSD |
PDB |
Stats |
Theory |
| CONH2 |
199 |
9 |
|
|
| imidazole |
* |
10 |
|
|
| guanidinium |
* |
5 |
|
|
* This search has not been done.
|
|
