|
aliphatic-aliphatic methylene
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 |
9994 |
9991 |
|
|
| any polar X-H (X= N,O or S) |
4997 |
5951 |
|
|
* 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 |
4972 |
3215 |
|
|
| methylene |
1998 |
705 |
|
|
| methyl |
1998 |
1600 |
|
|
| any aromatic C-H |
4990 |
3289 |
|
|
| substituted aromatic carbon |
2498 |
580 |
|
|
| phenyl |
1427 |
1167 |
|
|
* 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 |
4997 |
1004 |
|
|
| any uncharged NH |
4997 |
* |
|
|
| any cationic NH |
2328 |
* |
|
|
| aromatic cationic N-H |
357 |
* |
|
|
| amide NH |
1665 |
200 |
|
|
| uncharged C(sp2)/C(ar)-NH2 |
1388 |
* |
|
|
| cationic RNH3 |
564 |
63 |
|
|
| cationic R3NH |
43 |
* |
|
|
* 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 |
4712 |
|
|
| alcohol OH |
3331 |
386 |
|
|
| phenol OH |
3331 |
886 |
|
|
| water |
3331 |
3441 |
|
|
* 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 |
3293 |
78 |
|
|
| cyano |
3286 |
|
|
|
| pyramidal R3N |
1398 |
* |
|
|
| uncharged planar R3N |
2091 |
8 |
|
|
| cationic planar R3N |
117 |
|
|
|
|
| any terminal O |
4962 |
1947 |
|
|
| any C=O |
4931 |
1947 |
|
|
| amide C=O |
1627 |
1070 |
|
|
| ester C=O |
1978 |
|
|
|
| carboxylate |
2498 |
696 |
|
|
| aliphatic ether |
3322 |
|
|
|
| linking O in esters |
1998 |
|
|
|
| aromatic O |
1490 |
|
|
|
| sulfoxide/sulfone O |
2476 |
|
|
|
| nitro |
2473 |
* |
|
|
* 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 |
9975 |
489 |
|
|
| any C=S |
4980 |
|
|
|
| aliphatic thioether |
2110 |
577 |
|
|
| aromatic S |
2394 |
|
|
|
* 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 |
4987 |
|
|
|
| any C-Cl |
4997 |
|
|
|
| any C-Br |
4997 |
|
|
|
| any C-I |
2244 |
|
|
|
| chloride ion |
8387 |
|
|
|
| bromide ion |
3005 |
|
|
|
| iodide ion |
1893 |
|
|
|
* 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 |
135 |
|
|
|
| sodium ion |
485 |
|
|
|
| potassium ion |
1201 |
|
|
|
| rubidium ion |
10 |
|
|
|
| cesuim ion |
31 |
|
|
|
* 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 |
1622 |
666 |
|
|
| imidazole |
* |
793 |
|
|
| guanidinium |
* |
446 |
|
|
* This search has not been done.
|
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