|
trimethylammonio
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 |
9804 |
2752 |
|
|
| any polar X-H (X= N,O or S) |
2052 |
711 |
|
|
* 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 |
4992 |
356 |
|
|
| methylene |
553 |
164 |
|
|
| methyl |
830 |
85 |
|
|
| any aromatic C-H |
4899 |
787 |
|
|
| substituted aromatic carbon |
614 |
344 |
|
|
| phenyl |
878 |
129 |
|
|
* 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 |
274 |
178 |
|
|
| any uncharged NH |
128 |
* |
|
|
| any cationic NH |
14 |
* |
|
|
| aromatic cationic N-H |
|
* |
|
|
| amide NH |
52 |
16 |
|
|
| uncharged C(sp2)/C(ar)-NH2 |
18 |
* |
|
|
| cationic RNH3 |
4 |
2 |
|
|
| 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 |
1773 |
526 |
|
|
| alcohol OH |
259 |
75 |
|
|
| phenol OH |
195 |
136 |
|
|
| water |
631 |
315 |
|
|
* 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 |
92 |
4 |
|
|
| cyano |
399 |
|
|
|
| pyramidal R3N |
3 |
* |
|
|
| uncharged planar R3N |
29 |
|
|
|
| cationic planar R3N |
|
|
|
|
|
| any terminal O |
3821 |
356 |
|
|
| any C=O |
1555 |
356 |
|
|
| amide C=O |
68 |
136 |
|
|
| ester C=O |
75 |
|
|
|
| carboxylate |
279 |
146 |
|
|
| aliphatic ether |
44 |
|
|
|
| linking O in esters |
22 |
|
|
|
| aromatic O |
3 |
|
|
|
| sulfoxide/sulfone O |
14 |
|
|
|
| nitro |
103 |
* |
|
|
* 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 |
2010 |
24 |
|
|
| any C=S |
386 |
|
|
|
| aliphatic thioether |
2 |
17 |
|
|
| aromatic S |
16 |
|
|
|
* 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 |
903 |
|
|
|
| any C-Cl |
288 |
|
|
|
| any C-Br |
111 |
|
|
|
| any C-I |
109 |
|
|
|
| chloride ion |
325 |
|
|
|
| bromide ion |
421 |
|
|
|
| iodide ion |
1029 |
|
|
|
* 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 |
14 |
|
|
|
| potassium ion |
4 |
|
|
|
| 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 |
60 |
53 |
|
|
| imidazole |
* |
11 |
|
|
| guanidinium |
* |
40 |
|
|
* This search has not been done.
|
|
