|
aliphatic-aliphatic ether
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 |
9963 |
9996 |
|
|
| any polar X-H (X= N,O or S) |
3586 |
9996 |
|
|
* 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 |
4959 |
5054 |
|
|
| methylene |
1998 |
1524 |
|
|
| methyl |
1998 |
977 |
|
|
| any aromatic C-H |
4995 |
1686 |
|
|
| substituted aromatic carbon |
609 |
189 |
|
|
| phenyl |
1427 |
475 |
|
|
* 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 |
1163 |
4564 |
|
|
| any uncharged NH |
496 |
* |
|
|
| any cationic NH |
243 |
* |
|
|
| aromatic cationic N-H |
12 |
* |
|
|
| amide NH |
78 |
456 |
|
|
| uncharged C(sp2)/C(ar)-NH2 |
69 |
* |
|
|
| cationic RNH3 |
76 |
2174 |
|
|
| cationic R3NH |
6 |
* |
|
|
* 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 |
2422 |
8353 |
|
|
| alcohol OH |
892 |
372 |
|
|
| phenol OH |
236 |
358 |
|
|
| water |
402 |
7623 |
|
|
* 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 |
98 |
55 |
|
|
| cyano |
123 |
|
|
|
| pyramidal R3N |
10 |
* |
|
|
| uncharged planar R3N |
43 |
2 |
|
|
| cationic planar R3N |
26 |
|
|
|
|
| any terminal O |
848 |
1984 |
|
|
| any C=O |
737 |
1984 |
|
|
| amide C=O |
79 |
907 |
|
|
| ester C=O |
146 |
|
|
|
| carboxylate |
46 |
676 |
|
|
| aliphatic ether |
275 |
|
|
|
| linking O in esters |
65 |
|
|
|
| aromatic O |
11 |
|
|
|
| sulfoxide/sulfone O |
15 |
|
|
|
| nitro |
108 |
* |
|
|
* 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 |
154 |
79 |
|
|
| any C=S |
20 |
|
|
|
| aliphatic thioether |
12 |
47 |
|
|
| aromatic S |
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
|
Halo/Halide
|
|
Links to statistical data |
Links to theoretical energy data |
| Contact Group |
CSD |
PDB |
Stats |
Theory |
| any C-F |
404 |
1 |
|
|
| any C-Cl |
295 |
|
|
|
| any C-Br |
97 |
|
|
|
| any C-I |
29 |
|
|
|
| chloride ion |
43 |
|
|
|
| bromide ion |
9 |
|
|
|
| iodide ion |
6 |
|
|
|
* 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 |
9 |
|
|
|
| sodium ion |
20 |
|
|
|
| potassium ion |
54 |
|
|
|
| rubidium ion |
22 |
|
|
|
| cesuim ion |
52 |
|
|
|
* 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 |
39 |
915 |
|
|
| imidazole |
* |
516 |
|
|
| guanidinium |
* |
944 |
|
|
* This search has not been done.
|
|
