|
4-nitrophenyl
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 |
9985 |
515 |
|
|
| any polar X-H (X= N,O or S) |
4341 |
107 |
|
|
* 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 |
4992 |
164 |
|
|
| methylene |
1997 |
48 |
|
|
| methyl |
1997 |
71 |
|
|
| any aromatic C-H |
4989 |
138 |
|
|
| substituted aromatic carbon |
2496 |
30 |
|
|
| phenyl |
1426 |
26 |
|
|
* 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 |
2089 |
41 |
|
|
| any uncharged NH |
1029 |
* |
|
|
| any cationic NH |
248 |
* |
|
|
| aromatic cationic N-H |
79 |
* |
|
|
| amide NH |
314 |
8 |
|
|
| uncharged C(sp2)/C(ar)-NH2 |
167 |
* |
|
|
| cationic RNH3 |
59 |
1 |
|
|
| cationic R3NH |
5 |
* |
|
|
* 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 |
2252 |
65 |
|
|
| alcohol OH |
585 |
6 |
|
|
| phenol OH |
228 |
14 |
|
|
| water |
447 |
45 |
|
|
* 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 |
1839 |
6 |
|
|
| cyano |
720 |
|
|
|
| pyramidal R3N |
67 |
* |
|
|
| uncharged planar R3N |
420 |
1 |
|
|
| cationic planar R3N |
38 |
|
|
|
|
| any terminal O |
4992 |
48 |
|
|
| any C=O |
4992 |
48 |
|
|
| amide C=O |
702 |
21 |
|
|
| ester C=O |
1984 |
|
|
|
| carboxylate |
403 |
9 |
|
|
| aliphatic ether |
252 |
|
|
|
| linking O in esters |
1112 |
|
|
|
| aromatic O |
208 |
|
|
|
| sulfoxide/sulfone O |
134 |
|
|
|
| nitro |
2496 |
* |
|
|
* 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 |
1556 |
4 |
|
|
| any C=S |
198 |
|
|
|
| aliphatic thioether |
88 |
2 |
|
|
| aromatic S |
225 |
|
|
|
* 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 |
1131 |
|
|
|
| any C-Cl |
1260 |
|
|
|
| any C-Br |
525 |
|
|
|
| any C-I |
204 |
|
|
|
| chloride ion |
113 |
|
|
|
| bromide ion |
58 |
|
|
|
| iodide ion |
24 |
|
|
|
* 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 |
|
|
|
|
| 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 |
124 |
11 |
|
|
| imidazole |
* |
11 |
|
|
| guanidinium |
* |
9 |
|
|
* This search has not been done.
|
|
