|
aliphatic-aromatic amide
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 |
9964 |
3120 |
|
|
| any polar X-H (X= N,O or S) |
4950 |
1791 |
|
|
* 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 |
4995 |
1080 |
|
|
| methylene |
1987 |
317 |
|
|
| methyl |
1998 |
297 |
|
|
| any aromatic C-H |
4995 |
322 |
|
|
| substituted aromatic carbon |
1366 |
32 |
|
|
| phenyl |
1427 |
121 |
|
|
* 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 |
2990 |
562 |
|
|
| any uncharged NH |
2769 |
* |
|
|
| any cationic NH |
110 |
* |
|
|
| aromatic cationic N-H |
21 |
* |
|
|
| amide NH |
1665 |
236 |
|
|
| uncharged C(sp2)/C(ar)-NH2 |
97 |
* |
|
|
| cationic RNH3 |
31 |
65 |
|
|
| 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 |
3135 |
1204 |
|
|
| alcohol OH |
443 |
105 |
|
|
| phenol OH |
178 |
59 |
|
|
| water |
1166 |
1040 |
|
|
* 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 |
371 |
7 |
|
|
| cyano |
93 |
|
|
|
| pyramidal R3N |
5 |
* |
|
|
| uncharged planar R3N |
24 |
1 |
|
|
| cationic planar R3N |
5 |
|
|
|
|
| any terminal O |
4461 |
535 |
|
|
| any C=O |
4311 |
535 |
|
|
| amide C=O |
1664 |
326 |
|
|
| ester C=O |
337 |
|
|
|
| carboxylate |
115 |
110 |
|
|
| aliphatic ether |
51 |
|
|
|
| linking O in esters |
109 |
|
|
|
| aromatic O |
8 |
|
|
|
| sulfoxide/sulfone O |
56 |
|
|
|
| nitro |
278 |
* |
|
|
* 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 |
262 |
83 |
|
|
| any C=S |
46 |
|
|
|
| aliphatic thioether |
3 |
57 |
|
|
| aromatic S |
25 |
|
|
|
* 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 |
248 |
|
|
|
| any C-Cl |
237 |
|
|
|
| any C-Br |
81 |
|
|
|
| any C-I |
33 |
|
|
|
| chloride ion |
165 |
|
|
|
| bromide ion |
22 |
|
|
|
| iodide ion |
10 |
|
|
|
* 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 |
11 |
|
|
|
| rubidium ion |
|
|
|
|
| cesuim ion |
|
|
|
|
* 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 |
36 |
129 |
|
|
| imidazole |
* |
69 |
|
|
| guanidinium |
* |
92 |
|
|
* This search has not been done.
|
|
