|
aromatic-aliphatic 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 |
9940 |
1467 |
|
|
| any polar X-H (X= N,O or S) |
4951 |
669 |
|
|
* 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 |
525 |
|
|
| methylene |
1998 |
126 |
|
|
| methyl |
1998 |
147 |
|
|
| any aromatic C-H |
4995 |
179 |
|
|
| substituted aromatic carbon |
1063 |
15 |
|
|
| phenyl |
1427 |
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
|
N-H
|
|
Links to statistical data |
Links to theoretical energy data |
| Contact Group |
CSD |
PDB |
Stats |
Theory |
| any NH |
3592 |
187 |
|
|
| any uncharged NH |
3228 |
* |
|
|
| any cationic NH |
84 |
* |
|
|
| aromatic cationic N-H |
17 |
* |
|
|
| amide NH |
1665 |
71 |
|
|
| uncharged C(sp2)/C(ar)-NH2 |
114 |
* |
|
|
| cationic RNH3 |
18 |
32 |
|
|
| cationic R3NH |
12 |
* |
|
|
* 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 |
2154 |
474 |
|
|
| alcohol OH |
337 |
37 |
|
|
| phenol OH |
177 |
27 |
|
|
| water |
731 |
410 |
|
|
* 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 |
530 |
4 |
|
|
| cyano |
122 |
|
|
|
| pyramidal R3N |
15 |
* |
|
|
| uncharged planar R3N |
37 |
|
|
|
| cationic planar R3N |
5 |
|
|
|
|
| any terminal O |
4774 |
297 |
|
|
| any C=O |
4975 |
297 |
|
|
| amide C=O |
1665 |
152 |
|
|
| ester C=O |
174 |
|
|
|
| carboxylate |
127 |
62 |
|
|
| aliphatic ether |
43 |
|
|
|
| linking O in esters |
68 |
|
|
|
| aromatic O |
11 |
|
|
|
| sulfoxide/sulfone O |
69 |
|
|
|
| nitro |
247 |
* |
|
|
* 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 |
426 |
34 |
|
|
| any C=S |
26 |
|
|
|
| aliphatic thioether |
4 |
21 |
|
|
| aromatic S |
28 |
|
|
|
* 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 |
492 |
|
|
|
| any C-Cl |
531 |
|
|
|
| any C-Br |
189 |
|
|
|
| any C-I |
70 |
|
|
|
| chloride ion |
110 |
|
|
|
| bromide ion |
16 |
|
|
|
| iodide ion |
11 |
|
|
|
* 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 |
1 |
|
|
|
| potassium ion |
8 |
|
|
|
| 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 |
99 |
42 |
|
|
| imidazole |
* |
26 |
|
|
| guanidinium |
* |
22 |
|
|
* This search has not been done.
|
|
