|
amide, N,N-disubstituted
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 |
9993 |
4517 |
|
|
| any polar X-H (X= N,O or S) |
1707 |
3218 |
|
|
* 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 |
4996 |
1221 |
|
|
| methylene |
1367 |
303 |
|
|
| methyl |
1998 |
261 |
|
|
| any aromatic C-H |
2923 |
720 |
|
|
| substituted aromatic carbon |
291 |
21 |
|
|
| phenyl |
692 |
182 |
|
|
* 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 |
665 |
1030 |
|
|
| any uncharged NH |
477 |
* |
|
|
| any cationic NH |
61 |
* |
|
|
| aromatic cationic N-H |
1 |
* |
|
|
| amide NH |
227 |
361 |
|
|
| uncharged C(sp2)/C(ar)-NH2 |
41 |
* |
|
|
| cationic RNH3 |
13 |
106 |
|
|
| cationic R3NH |
1 |
* |
|
|
* 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 |
1039 |
2170 |
|
|
| alcohol OH |
223 |
85 |
|
|
| phenol OH |
71 |
296 |
|
|
| water |
232 |
1789 |
|
|
* 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 |
74 |
3 |
|
|
| cyano |
34 |
|
|
|
| pyramidal R3N |
7 |
* |
|
|
| uncharged planar R3N |
206 |
|
|
|
| cationic planar R3N |
1 |
|
|
|
|
| any terminal O |
959 |
595 |
|
|
| any C=O |
1003 |
595 |
|
|
| amide C=O |
150 |
348 |
|
|
| ester C=O |
51 |
|
|
|
| carboxylate |
24 |
128 |
|
|
| aliphatic ether |
17 |
|
|
|
| linking O in esters |
31 |
|
|
|
| aromatic O |
1 |
|
|
|
| sulfoxide/sulfone O |
8 |
|
|
|
| nitro |
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
|
Sulfur
|
|
Links to statistical data |
Links to theoretical energy data |
| Contact Group |
CSD |
PDB |
Stats |
Theory |
| any S |
82 |
46 |
|
|
| any C=S |
31 |
|
|
|
| aliphatic thioether |
8 |
19 |
|
|
| aromatic S |
14 |
|
|
|
* 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 |
109 |
|
|
|
| any C-Cl |
154 |
|
|
|
| any C-Br |
42 |
|
|
|
| any C-I |
18 |
|
|
|
| chloride ion |
28 |
|
|
|
| bromide ion |
3 |
|
|
|
| iodide ion |
2 |
|
|
|
* 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 |
2 |
|
|
|
| potassium ion |
4 |
|
|
|
| rubidium ion |
1 |
|
|
|
| cesuim ion |
2 |
|
|
|
* 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 |
46 |
184 |
|
|
| imidazole |
* |
142 |
|
|
| guanidinium |
* |
195 |
|
|
* This search has not been done.
|
|
