|
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 |
9954 |
855 |
|
|
| any polar X-H (X= N,O or S) |
2175 |
282 |
|
|
* 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 |
4904 |
278 |
|
|
| methylene |
1964 |
48 |
|
|
| methyl |
1921 |
147 |
|
|
| any aromatic C-H |
4962 |
150 |
|
|
| substituted aromatic carbon |
1536 |
8 |
|
|
| phenyl |
1427 |
23 |
|
|
* 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 |
229 |
67 |
|
|
| any uncharged NH |
122 |
* |
|
|
| any cationic NH |
16 |
* |
|
|
| aromatic cationic N-H |
1 |
* |
|
|
| amide NH |
39 |
9 |
|
|
| uncharged C(sp2)/C(ar)-NH2 |
16 |
* |
|
|
| cationic RNH3 |
9 |
1 |
|
|
| 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 |
1946 |
209 |
|
|
| alcohol OH |
1207 |
68 |
|
|
| phenol OH |
66 |
54 |
|
|
| water |
191 |
87 |
|
|
* 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 |
170 |
|
|
|
| cyano |
166 |
|
|
|
| pyramidal R3N |
14 |
* |
|
|
| uncharged planar R3N |
50 |
|
|
|
| cationic planar R3N |
4 |
|
|
|
|
| any terminal O |
4064 |
97 |
|
|
| any C=O |
3743 |
97 |
|
|
| amide C=O |
132 |
25 |
|
|
| ester C=O |
1934 |
|
|
|
| carboxylate |
17 |
53 |
|
|
| aliphatic ether |
127 |
|
|
|
| linking O in esters |
848 |
|
|
|
| aromatic O |
39 |
|
|
|
| sulfoxide/sulfone O |
67 |
|
|
|
| nitro |
172 |
* |
|
|
* 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 |
227 |
6 |
|
|
| any C=S |
22 |
|
|
|
| aliphatic thioether |
21 |
|
|
|
| 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 |
415 |
|
|
|
| any C-Cl |
449 |
|
|
|
| any C-Br |
219 |
|
|
|
| any C-I |
41 |
|
|
|
| chloride ion |
25 |
|
|
|
| bromide ion |
18 |
|
|
|
| iodide ion |
17 |
|
|
|
* 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 |
12 |
|
|
|
| sodium ion |
6 |
|
|
|
| potassium ion |
4 |
|
|
|
| rubidium ion |
2 |
|
|
|
| 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 |
53 |
27 |
|
|
| imidazole |
* |
8 |
|
|
| guanidinium |
* |
41 |
|
|
* This search has not been done.
|
|
