|
carbamoyl (N,Q)
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 |
9991 |
9995 |
|
|
| any polar X-H (X= N,O or S) |
4772 |
9995 |
|
|
* 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 |
4881 |
7564 |
|
|
| methylene |
1567 |
1401 |
|
|
| methyl |
1591 |
1202 |
|
|
| any aromatic C-H |
1024 |
1596 |
|
|
| substituted aromatic carbon |
77 |
532 |
|
|
| phenyl |
222 |
331 |
|
|
* 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 |
3010 |
2349 |
|
|
| any uncharged NH |
2726 |
* |
|
|
| any cationic NH |
115 |
* |
|
|
| aromatic cationic N-H |
|
* |
|
|
| amide NH |
126 |
593 |
|
|
| uncharged C(sp2)/C(ar)-NH2 |
1404 |
* |
|
|
| cationic RNH3 |
47 |
141 |
|
|
| cationic R3NH |
4 |
* |
|
|
* 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 |
1765 |
9995 |
|
|
| alcohol OH |
506 |
3621 |
|
|
| phenol OH |
69 |
307 |
|
|
| water |
647 |
8218 |
|
|
* 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 |
79 |
1375 |
|
|
| cyano |
61 |
90 |
|
|
| pyramidal R3N |
7 |
* |
|
|
| uncharged planar R3N |
32 |
200 |
|
|
| cationic planar R3N |
5 |
117 |
|
|
|
| any terminal O |
2319 |
3998 |
|
|
| any C=O |
2203 |
3998 |
|
|
| amide C=O |
174 |
1157 |
|
|
| ester C=O |
20 |
183 |
|
|
| carboxylate |
76 |
1630 |
|
|
| aliphatic ether |
8 |
13 |
|
|
| linking O in esters |
12 |
59 |
|
|
| aromatic O |
1 |
70 |
|
|
| sulfoxide/sulfone O |
43 |
20 |
|
|
| nitro |
50 |
* |
|
|
* 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 |
129 |
489 |
|
|
| any C=S |
7 |
16 |
|
|
| aliphatic thioether |
8 |
142 |
|
|
| aromatic S |
6 |
75 |
|
|
* 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 |
36 |
309 |
|
|
| any C-Cl |
23 |
187 |
|
|
| any C-Br |
8 |
34 |
|
|
| any C-I |
5 |
14 |
|
|
| chloride ion |
72 |
82 |
|
|
| bromide ion |
21 |
1 |
|
|
| iodide ion |
14 |
4 |
|
|
* 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 |
2 |
1 |
|
|
| sodium ion |
5 |
32 |
|
|
| potassium ion |
1 |
11 |
|
|
| rubidium ion |
|
1 |
|
|
| cesuim ion |
4 |
|
|
|
* 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 |
1394 |
334 |
|
|
| imidazole |
* |
103 |
|
|
| guanidinium |
* |
173 |
|
|
* This search has not been done.
|
|
