|
aliphatic-aliphatic ketone
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 |
9983 |
1707 |
|
|
| any polar X-H (X= N,O or S) |
4978 |
823 |
|
|
* 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 |
4997 |
521 |
|
|
| methylene |
1999 |
89 |
|
|
| methyl |
1999 |
79 |
|
|
| any aromatic C-H |
4968 |
102 |
|
|
| substituted aromatic carbon |
1664 |
10 |
|
|
| phenyl |
1427 |
46 |
|
|
* 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 |
2201 |
408 |
|
|
| any uncharged NH |
1088 |
* |
|
|
| any cationic NH |
162 |
* |
|
|
| aromatic cationic N-H |
35 |
* |
|
|
| amide NH |
231 |
195 |
|
|
| uncharged C(sp2)/C(ar)-NH2 |
116 |
* |
|
|
| cationic RNH3 |
25 |
37 |
|
|
| cationic R3NH |
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
|
O-H
|
|
Links to statistical data |
Links to theoretical energy data |
| Contact Group |
CSD |
PDB |
Stats |
Theory |
| any OH |
2777 |
347 |
|
|
| alcohol OH |
828 |
59 |
|
|
| phenol OH |
458 |
28 |
|
|
| water |
336 |
260 |
|
|
* 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 |
315 |
59 |
|
|
| cyano |
185 |
|
|
|
| pyramidal R3N |
16 |
* |
|
|
| uncharged planar R3N |
230 |
|
|
|
| cationic planar R3N |
51 |
|
|
|
|
| any terminal O |
3940 |
192 |
|
|
| any C=O |
3094 |
192 |
|
|
| amide C=O |
160 |
93 |
|
|
| ester C=O |
398 |
|
|
|
| carboxylate |
34 |
116 |
|
|
| aliphatic ether |
46 |
|
|
|
| linking O in esters |
162 |
|
|
|
| aromatic O |
32 |
|
|
|
| sulfoxide/sulfone O |
56 |
|
|
|
| nitro |
313 |
* |
|
|
* 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 |
462 |
79 |
|
|
| any C=S |
82 |
|
|
|
| aliphatic thioether |
15 |
4 |
|
|
| aromatic S |
71 |
|
|
|
* 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 |
882 |
|
|
|
| any C-Cl |
337 |
|
|
|
| any C-Br |
224 |
|
|
|
| any C-I |
42 |
|
|
|
| chloride ion |
34 |
|
|
|
| bromide ion |
13 |
|
|
|
| iodide 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
|
Alkali Metal
|
|
Links to statistical data |
Links to theoretical energy data |
| Contact Group |
CSD |
PDB |
Stats |
Theory |
| lithium ion |
|
|
|
|
| sodium ion |
13 |
|
|
|
| potassium ion |
23 |
|
|
|
| rubidium ion |
5 |
|
|
|
| cesuim ion |
19 |
|
|
|
* 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 |
118 |
46 |
|
|
| imidazole |
* |
121 |
|
|
| guanidinium |
* |
44 |
|
|
* This search has not been done.
|
|
