|
pyridinium-1-yl
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 |
9939 |
9992 |
|
|
| any polar X-H (X= N,O or S) |
4967 |
5866 |
|
|
* 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 |
4932 |
6061 |
|
|
| methylene |
1327 |
1831 |
|
|
| methyl |
1993 |
2347 |
|
|
| any aromatic C-H |
4993 |
3318 |
|
|
| substituted aromatic carbon |
2496 |
694 |
|
|
| phenyl |
1192 |
333 |
|
|
* 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 |
766 |
836 |
|
|
| any uncharged NH |
561 |
* |
|
|
| any cationic NH |
34 |
* |
|
|
| aromatic cationic N-H |
13 |
* |
|
|
| amide NH |
79 |
134 |
|
|
| uncharged C(sp2)/C(ar)-NH2 |
241 |
* |
|
|
| cationic RNH3 |
5 |
58 |
|
|
| 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 |
4988 |
4469 |
|
|
| alcohol OH |
376 |
1174 |
|
|
| phenol OH |
457 |
1255 |
|
|
| water |
3062 |
2040 |
|
|
* 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 |
958 |
23 |
|
|
| cyano |
2545 |
|
|
|
| pyramidal R3N |
16 |
* |
|
|
| uncharged planar R3N |
564 |
1 |
|
|
| cationic planar R3N |
717 |
|
|
|
|
| any terminal O |
4993 |
4782 |
|
|
| any C=O |
4993 |
4782 |
|
|
| amide C=O |
149 |
1979 |
|
|
| ester C=O |
258 |
|
|
|
| carboxylate |
923 |
487 |
|
|
| aliphatic ether |
1652 |
|
|
|
| linking O in esters |
130 |
|
|
|
| aromatic O |
11 |
|
|
|
| sulfoxide/sulfone O |
177 |
|
|
|
| nitro |
309 |
* |
|
|
* 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 |
4437 |
736 |
|
|
| any C=S |
474 |
|
|
|
| aliphatic thioether |
3 |
167 |
|
|
| aromatic S |
76 |
|
|
|
* 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 |
1672 |
|
|
|
| any C-Cl |
469 |
|
|
|
| any C-Br |
256 |
|
|
|
| any C-I |
185 |
|
|
|
| chloride ion |
1382 |
|
|
|
| bromide ion |
1361 |
|
|
|
| iodide ion |
1452 |
|
|
|
* 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 |
47 |
|
|
|
| potassium ion |
9 |
|
|
|
| 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 |
153 |
754 |
|
|
| imidazole |
* |
129 |
|
|
| guanidinium |
* |
119 |
|
|
* This search has not been done.
|
|
