|
sulfoxide
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 |
9970 |
563 |
|
|
| any polar X-H (X= N,O or S) |
4960 |
236 |
|
|
* 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 |
4932 |
165 |
|
|
| methylene |
1741 |
40 |
|
|
| methyl |
1971 |
45 |
|
|
| any aromatic C-H |
4997 |
101 |
|
|
| substituted aromatic carbon |
1549 |
12 |
|
|
| phenyl |
1419 |
33 |
|
|
* 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 |
4947 |
72 |
|
|
| any uncharged NH |
2739 |
* |
|
|
| any cationic NH |
315 |
* |
|
|
| aromatic cationic N-H |
52 |
* |
|
|
| amide NH |
702 |
10 |
|
|
| uncharged C(sp2)/C(ar)-NH2 |
237 |
* |
|
|
| cationic RNH3 |
69 |
1 |
|
|
| cationic R3NH |
5 |
* |
|
|
* 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 |
2854 |
158 |
|
|
| alcohol OH |
541 |
17 |
|
|
| phenol OH |
854 |
31 |
|
|
| water |
358 |
110 |
|
|
* 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 |
897 |
4 |
|
|
| cyano |
121 |
|
|
|
| pyramidal R3N |
11 |
* |
|
|
| uncharged planar R3N |
181 |
|
|
|
| cationic planar R3N |
17 |
|
|
|
|
| any terminal O |
3864 |
77 |
|
|
| any C=O |
2466 |
77 |
|
|
| amide C=O |
467 |
22 |
|
|
| ester C=O |
185 |
|
|
|
| carboxylate |
64 |
10 |
|
|
| aliphatic ether |
36 |
|
|
|
| linking O in esters |
101 |
|
|
|
| aromatic O |
101 |
|
|
|
| sulfoxide/sulfone O |
1339 |
|
|
|
| nitro |
446 |
* |
|
|
* 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 |
2582 |
9 |
|
|
| any C=S |
256 |
|
|
|
| aliphatic thioether |
6 |
3 |
|
|
| aromatic S |
59 |
|
|
|
* 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 |
392 |
|
|
|
| any C-Cl |
337 |
|
|
|
| any C-Br |
176 |
|
|
|
| any C-I |
101 |
|
|
|
| chloride ion |
41 |
|
|
|
| bromide ion |
13 |
|
|
|
| iodide ion |
9 |
|
|
|
* 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 |
17 |
|
|
|
| potassium ion |
4 |
|
|
|
| rubidium ion |
|
|
|
|
| cesuim ion |
15 |
|
|
|
* 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 |
152 |
28 |
|
|
| imidazole |
* |
11 |
|
|
| guanidinium |
* |
16 |
|
|
* This search has not been done.
|
|
