|
aliphatic 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 |
9843 |
381 |
|
|
| any polar X-H (X= N,O or S) |
4996 |
146 |
|
|
* 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 |
4935 |
148 |
|
|
| methylene |
1998 |
36 |
|
|
| methyl |
1998 |
33 |
|
|
| any aromatic C-H |
4996 |
38 |
|
|
| substituted aromatic carbon |
2498 |
4 |
|
|
| phenyl |
1427 |
15 |
|
|
* 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 |
4573 |
78 |
|
|
| any uncharged NH |
2090 |
* |
|
|
| any cationic NH |
449 |
* |
|
|
| aromatic cationic N-H |
100 |
* |
|
|
| amide NH |
378 |
48 |
|
|
| uncharged C(sp2)/C(ar)-NH2 |
299 |
* |
|
|
| cationic RNH3 |
77 |
8 |
|
|
| cationic R3NH |
37 |
* |
|
|
* 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 |
3661 |
67 |
|
|
| alcohol OH |
683 |
3 |
|
|
| phenol OH |
587 |
4 |
|
|
| water |
593 |
60 |
|
|
* 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 |
1484 |
1 |
|
|
| cyano |
3299 |
|
|
|
| pyramidal R3N |
65 |
* |
|
|
| uncharged planar R3N |
1210 |
|
|
|
| cationic planar R3N |
358 |
|
|
|
|
| any terminal O |
4941 |
61 |
|
|
| any C=O |
4174 |
61 |
|
|
| amide C=O |
395 |
40 |
|
|
| ester C=O |
926 |
|
|
|
| carboxylate |
67 |
16 |
|
|
| aliphatic ether |
565 |
|
|
|
| linking O in esters |
474 |
|
|
|
| aromatic O |
89 |
|
|
|
| sulfoxide/sulfone O |
108 |
|
|
|
| nitro |
865 |
* |
|
|
* 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 |
2204 |
2 |
|
|
| any C=S |
300 |
|
|
|
| aliphatic thioether |
53 |
|
|
|
| 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 |
3040 |
|
|
|
| any C-Cl |
1387 |
|
|
|
| any C-Br |
608 |
|
|
|
| any C-I |
147 |
|
|
|
| chloride ion |
119 |
|
|
|
| bromide ion |
50 |
|
|
|
| iodide ion |
68 |
|
|
|
* 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 |
13 |
|
|
|
| potassium ion |
38 |
|
|
|
| rubidium ion |
|
|
|
|
| cesuim ion |
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
|
Amino acid
|
|
Links to statistical data |
Links to theoretical energy data |
| Contact Group |
CSD |
PDB |
Stats |
Theory |
| CONH2 |
180 |
15 |
|
|
| imidazole |
* |
8 |
|
|
| guanidinium |
* |
3 |
|
|
* This search has not been done.
|
|
