|
aromatic dimethylamino; planar
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 |
9229 |
511 |
|
|
| any polar X-H (X= N,O or S) |
2368 |
125 |
|
|
* 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 |
4736 |
128 |
|
|
| methylene |
1237 |
42 |
|
|
| methyl |
1945 |
49 |
|
|
| any aromatic C-H |
4726 |
178 |
|
|
| substituted aromatic carbon |
2359 |
22 |
|
|
| phenyl |
1316 |
44 |
|
|
* 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 |
805 |
30 |
|
|
| any uncharged NH |
251 |
* |
|
|
| any cationic NH |
317 |
* |
|
|
| aromatic cationic N-H |
293 |
* |
|
|
| amide NH |
86 |
5 |
|
|
| uncharged C(sp2)/C(ar)-NH2 |
56 |
* |
|
|
| cationic RNH3 |
|
1 |
|
|
| cationic R3NH |
|
* |
|
|
* 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 |
1575 |
95 |
|
|
| alcohol OH |
158 |
7 |
|
|
| phenol OH |
271 |
14 |
|
|
| water |
591 |
74 |
|
|
* 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 |
1620 |
1 |
|
|
| cyano |
1604 |
|
|
|
| pyramidal R3N |
75 |
* |
|
|
| uncharged planar R3N |
1580 |
|
|
|
| cationic planar R3N |
69 |
|
|
|
|
| any terminal O |
4561 |
73 |
|
|
| any C=O |
2504 |
73 |
|
|
| amide C=O |
183 |
31 |
|
|
| ester C=O |
496 |
|
|
|
| carboxylate |
251 |
24 |
|
|
| aliphatic ether |
124 |
|
|
|
| linking O in esters |
225 |
|
|
|
| aromatic O |
49 |
|
|
|
| sulfoxide/sulfone O |
66 |
|
|
|
| nitro |
820 |
* |
|
|
* 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 |
1290 |
4 |
|
|
| any C=S |
247 |
|
|
|
| aliphatic thioether |
3 |
4 |
|
|
| aromatic S |
164 |
|
|
|
* 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 |
2674 |
|
|
|
| any C-Cl |
1415 |
|
|
|
| any C-Br |
189 |
|
|
|
| any C-I |
189 |
|
|
|
| chloride ion |
225 |
|
|
|
| bromide ion |
91 |
|
|
|
| iodide ion |
141 |
|
|
|
* 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 |
|
|
|
|
| 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 |
22 |
15 |
|
|
| imidazole |
* |
5 |
|
|
| guanidinium |
* |
6 |
|
|
* This search has not been done.
|
|
