|
aliphatic-aromatic 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 |
9992 |
|
|
|
| any polar X-H (X= N,O or S) |
4996 |
|
|
|
* 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 |
4987 |
|
|
|
| methylene |
1998 |
64 |
|
|
| methyl |
1998 |
182 |
|
|
| any aromatic C-H |
4994 |
300 |
|
|
| substituted aromatic carbon |
2498 |
52 |
|
|
| phenyl |
1427 |
102 |
|
|
* 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 |
1942 |
|
|
|
| any uncharged NH |
948 |
* |
|
|
| any cationic NH |
326 |
* |
|
|
| aromatic cationic N-H |
142 |
* |
|
|
| amide NH |
384 |
12 |
|
|
| uncharged C(sp2)/C(ar)-NH2 |
120 |
* |
|
|
| cationic RNH3 |
88 |
3 |
|
|
| cationic R3NH |
1 |
* |
|
|
* 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 |
4958 |
|
|
|
| alcohol OH |
1004 |
44 |
|
|
| phenol OH |
1074 |
103 |
|
|
| water |
1707 |
|
|
|
* 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 |
1695 |
6 |
|
|
| cyano |
795 |
|
|
|
| pyramidal R3N |
32 |
* |
|
|
| uncharged planar R3N |
173 |
|
|
|
| cationic planar R3N |
4 |
|
|
|
|
| any terminal O |
4992 |
346 |
|
|
| any C=O |
4996 |
346 |
|
|
| amide C=O |
1214 |
139 |
|
|
| ester C=O |
1029 |
|
|
|
| carboxylate |
887 |
275 |
|
|
| aliphatic ether |
182 |
|
|
|
| linking O in esters |
401 |
|
|
|
| aromatic O |
50 |
|
|
|
| sulfoxide/sulfone O |
183 |
|
|
|
| nitro |
752 |
* |
|
|
* 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 |
2149 |
|
|
|
| any C=S |
465 |
|
|
|
| aliphatic thioether |
66 |
33 |
|
|
| aromatic S |
304 |
|
|
|
* 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 |
2009 |
|
|
|
| any C-Cl |
1545 |
|
|
|
| any C-Br |
529 |
|
|
|
| any C-I |
170 |
|
|
|
| chloride ion |
569 |
|
|
|
| bromide ion |
212 |
|
|
|
| iodide ion |
79 |
|
|
|
* 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 |
1 |
|
|
|
| sodium ion |
32 |
|
|
|
| potassium ion |
31 |
|
|
|
| rubidium ion |
|
|
|
|
| cesuim ion |
1 |
|
|
|
* 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 |
89 |
68 |
|
|
| imidazole |
* |
70 |
|
|
| guanidinium |
* |
33 |
|
|
* This search has not been done.
|
|
