|
4-methylphenyl
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 |
2445 |
731 |
|
|
| any polar X-H (X= N,O or S) |
1996 |
212 |
|
|
* 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 |
1996 |
268 |
|
|
| methylene |
1248 |
93 |
|
|
| methyl |
1248 |
87 |
|
|
| any aromatic C-H |
1996 |
134 |
|
|
| substituted aromatic carbon |
1426 |
27 |
|
|
| phenyl |
998 |
32 |
|
|
* 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 |
1996 |
51 |
|
|
| any uncharged NH |
1491 |
* |
|
|
| any cationic NH |
213 |
* |
|
|
| aromatic cationic N-H |
67 |
* |
|
|
| amide NH |
339 |
14 |
|
|
| uncharged C(sp2)/C(ar)-NH2 |
214 |
* |
|
|
| cationic RNH3 |
59 |
2 |
|
|
| cationic R3NH |
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
|
O-H
|
|
Links to statistical data |
Links to theoretical energy data |
| Contact Group |
CSD |
PDB |
Stats |
Theory |
| any OH |
1992 |
159 |
|
|
| alcohol OH |
943 |
17 |
|
|
| phenol OH |
350 |
6 |
|
|
| water |
775 |
136 |
|
|
* 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 |
1664 |
5 |
|
|
| cyano |
1457 |
|
|
|
| pyramidal R3N |
176 |
* |
|
|
| uncharged planar R3N |
533 |
1 |
|
|
| cationic planar R3N |
34 |
|
|
|
|
| any terminal O |
1996 |
92 |
|
|
| any C=O |
1996 |
92 |
|
|
| amide C=O |
739 |
51 |
|
|
| ester C=O |
1243 |
|
|
|
| carboxylate |
275 |
22 |
|
|
| aliphatic ether |
375 |
|
|
|
| linking O in esters |
884 |
|
|
|
| aromatic O |
480 |
|
|
|
| sulfoxide/sulfone O |
315 |
|
|
|
| nitro |
1002 |
* |
|
|
* 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 |
2490 |
17 |
|
|
| any C=S |
481 |
|
|
|
| aliphatic thioether |
66 |
14 |
|
|
| aromatic S |
528 |
|
|
|
* 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 |
1996 |
|
|
|
| any C-Cl |
1996 |
|
|
|
| any C-Br |
927 |
|
|
|
| any C-I |
201 |
|
|
|
| chloride ion |
703 |
|
|
|
| bromide ion |
126 |
|
|
|
| iodide ion |
90 |
|
|
|
* 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 |
3 |
|
|
|
| sodium ion |
5 |
|
|
|
| potassium ion |
21 |
|
|
|
| rubidium ion |
|
|
|
|
| cesuim 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
|
Amino acid
|
|
Links to statistical data |
Links to theoretical energy data |
| Contact Group |
CSD |
PDB |
Stats |
Theory |
| CONH2 |
124 |
11 |
|
|
| imidazole |
* |
18 |
|
|
| guanidinium |
* |
14 |
|
|
* This search has not been done.
|
|
