|
aliphatic fluoro
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 |
9975 |
8905 |
|
|
| any polar X-H (X= N,O or S) |
4997 |
2336 |
|
|
* 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 |
4964 |
4073 |
|
|
| methylene |
1998 |
895 |
|
|
| methyl |
1998 |
1666 |
|
|
| any aromatic C-H |
4959 |
1279 |
|
|
| substituted aromatic carbon |
2498 |
92 |
|
|
| phenyl |
1427 |
473 |
|
|
* 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 |
4987 |
910 |
|
|
| any uncharged NH |
3774 |
* |
|
|
| any cationic NH |
2109 |
* |
|
|
| aromatic cationic N-H |
605 |
* |
|
|
| amide NH |
812 |
408 |
|
|
| uncharged C(sp2)/C(ar)-NH2 |
608 |
* |
|
|
| cationic RNH3 |
312 |
31 |
|
|
| cationic R3NH |
63 |
* |
|
|
* 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 |
4997 |
1359 |
|
|
| alcohol OH |
1976 |
210 |
|
|
| phenol OH |
380 |
134 |
|
|
| water |
1928 |
1015 |
|
|
* 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 |
3312 |
45 |
|
|
| cyano |
3320 |
|
|
|
| pyramidal R3N |
139 |
* |
|
|
| uncharged planar R3N |
2438 |
5 |
|
|
| cationic planar R3N |
515 |
|
|
|
|
| any terminal O |
4997 |
1120 |
|
|
| any C=O |
4968 |
1120 |
|
|
| amide C=O |
1437 |
685 |
|
|
| ester C=O |
1982 |
|
|
|
| carboxylate |
972 |
190 |
|
|
| aliphatic ether |
878 |
|
|
|
| linking O in esters |
1498 |
|
|
|
| aromatic O |
482 |
|
|
|
| sulfoxide/sulfone O |
1179 |
|
|
|
| nitro |
1975 |
* |
|
|
* 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 |
4752 |
222 |
|
|
| any C=S |
324 |
|
|
|
| aliphatic thioether |
240 |
141 |
|
|
| 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 |
4988 |
|
|
|
| any C-Cl |
4997 |
|
|
|
| any C-Br |
2189 |
|
|
|
| any C-I |
944 |
|
|
|
| chloride ion |
208 |
|
|
|
| bromide ion |
41 |
|
|
|
| iodide ion |
24 |
|
|
|
* 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 |
99 |
|
|
|
| sodium ion |
118 |
|
|
|
| potassium ion |
578 |
|
|
|
| rubidium ion |
24 |
|
|
|
| cesuim ion |
471 |
|
|
|
* 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 |
341 |
228 |
|
|
| imidazole |
* |
270 |
|
|
| guanidinium |
* |
164 |
|
|
* This search has not been done.
|
|
