|
thiophene
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 |
|
3831 |
|
|
| any polar X-H (X= N,O or S) |
4250 |
802 |
|
|
* 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 |
|
1488 |
|
|
| methylene |
|
383 |
|
|
| methyl |
|
543 |
|
|
| any aromatic C-H |
4959 |
589 |
|
|
| substituted aromatic carbon |
2440 |
69 |
|
|
| phenyl |
1404 |
201 |
|
|
* 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 |
1915 |
329 |
|
|
| any uncharged NH |
1021 |
* |
|
|
| any cationic NH |
145 |
* |
|
|
| aromatic cationic N-H |
63 |
* |
|
|
| amide NH |
305 |
167 |
|
|
| uncharged C(sp2)/C(ar)-NH2 |
176 |
* |
|
|
| cationic RNH3 |
8 |
9 |
|
|
| 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 |
2334 |
461 |
|
|
| alcohol OH |
465 |
49 |
|
|
| phenol OH |
205 |
50 |
|
|
| water |
606 |
362 |
|
|
* 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 |
3094 |
18 |
|
|
| cyano |
1615 |
|
|
|
| pyramidal R3N |
30 |
* |
|
|
| uncharged planar R3N |
635 |
2 |
|
|
| cationic planar R3N |
55 |
|
|
|
|
| any terminal O |
4956 |
735 |
|
|
| any C=O |
4986 |
735 |
|
|
| amide C=O |
630 |
427 |
|
|
| ester C=O |
955 |
|
|
|
| carboxylate |
145 |
79 |
|
|
| aliphatic ether |
124 |
|
|
|
| linking O in esters |
452 |
|
|
|
| aromatic O |
196 |
|
|
|
| sulfoxide/sulfone O |
204 |
|
|
|
| nitro |
780 |
* |
|
|
* 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 |
9990 |
65 |
|
|
| any C=S |
442 |
|
|
|
| aliphatic thioether |
39 |
49 |
|
|
| aromatic S |
3284 |
|
|
|
* 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 |
4988 |
|
|
|
| any C-Cl |
2315 |
|
|
|
| any C-Br |
1291 |
|
|
|
| any C-I |
233 |
|
|
|
| chloride ion |
156 |
|
|
|
| bromide ion |
47 |
|
|
|
| iodide ion |
61 |
|
|
|
* 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 |
3 |
|
|
|
| potassium ion |
11 |
|
|
|
| rubidium ion |
1 |
|
|
|
| cesuim ion |
1 |
|
|
|
* 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 |
100 |
52 |
|
|
| imidazole |
* |
53 |
|
|
| guanidinium |
* |
24 |
|
|
* This search has not been done.
|
|
