|
aliphatic-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 |
9993 |
9994 |
|
|
| any polar X-H (X= N,O or S) |
4996 |
9194 |
|
|
* 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 |
4996 |
3707 |
|
|
| methylene |
1998 |
874 |
|
|
| methyl |
1998 |
981 |
|
|
| any aromatic C-H |
4996 |
1619 |
|
|
| substituted aromatic carbon |
643 |
55 |
|
|
| phenyl |
1427 |
500 |
|
|
* 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 |
4991 |
2549 |
|
|
| any uncharged NH |
4996 |
* |
|
|
| any cationic NH |
1015 |
* |
|
|
| aromatic cationic N-H |
30 |
* |
|
|
| amide NH |
1665 |
956 |
|
|
| uncharged C(sp2)/C(ar)-NH2 |
251 |
* |
|
|
| cationic RNH3 |
512 |
595 |
|
|
| 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 |
4975 |
6396 |
|
|
| alcohol OH |
1678 |
376 |
|
|
| phenol OH |
275 |
681 |
|
|
| water |
1860 |
5339 |
|
|
* 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 |
300 |
36 |
|
|
| cyano |
171 |
|
|
|
| pyramidal R3N |
28 |
* |
|
|
| uncharged planar R3N |
143 |
9 |
|
|
| cationic planar R3N |
|
|
|
|
|
| any terminal O |
4996 |
2882 |
|
|
| any C=O |
4996 |
2882 |
|
|
| amide C=O |
1665 |
1683 |
|
|
| ester C=O |
937 |
|
|
|
| carboxylate |
887 |
787 |
|
|
| aliphatic ether |
109 |
|
|
|
| linking O in esters |
241 |
|
|
|
| aromatic O |
19 |
|
|
|
| sulfoxide/sulfone O |
83 |
|
|
|
| nitro |
98 |
* |
|
|
* 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 |
403 |
161 |
|
|
| any C=S |
44 |
|
|
|
| aliphatic thioether |
54 |
86 |
|
|
| aromatic S |
14 |
|
|
|
* 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 |
503 |
|
|
|
| any C-Cl |
577 |
|
|
|
| any C-Br |
122 |
|
|
|
| any C-I |
53 |
|
|
|
| chloride ion |
187 |
|
|
|
| bromide ion |
29 |
|
|
|
| iodide ion |
14 |
|
|
|
* 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 |
3 |
|
|
|
| potassium ion |
14 |
|
|
|
| rubidium ion |
|
|
|
|
| cesuim ion |
3 |
|
|
|
* 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 |
397 |
1166 |
|
|
| imidazole |
* |
579 |
|
|
| guanidinium |
* |
742 |
|
|
* This search has not been done.
|
|
