|
aliphatic oxymethylene; anti
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 |
9913 |
9995 |
|
|
| any polar X-H (X= N,O or S) |
4416 |
9995 |
|
|
* 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 |
4990 |
6564 |
|
|
| methylene |
1998 |
2044 |
|
|
| methyl |
1997 |
1617 |
|
|
| any aromatic C-H |
4996 |
2998 |
|
|
| substituted aromatic carbon |
2498 |
503 |
|
|
| phenyl |
1427 |
800 |
|
|
* 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 |
1439 |
3640 |
|
|
| any uncharged NH |
659 |
* |
|
|
| any cationic NH |
228 |
* |
|
|
| aromatic cationic N-H |
20 |
* |
|
|
| amide NH |
145 |
403 |
|
|
| uncharged C(sp2)/C(ar)-NH2 |
73 |
* |
|
|
| cationic RNH3 |
65 |
1575 |
|
|
| cationic R3NH |
4 |
* |
|
|
* 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 |
2976 |
7359 |
|
|
| alcohol OH |
1116 |
461 |
|
|
| phenol OH |
358 |
404 |
|
|
| water |
505 |
6494 |
|
|
* 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 |
767 |
74 |
|
|
| cyano |
713 |
|
|
|
| pyramidal R3N |
24 |
* |
|
|
| uncharged planar R3N |
203 |
8 |
|
|
| cationic planar R3N |
31 |
|
|
|
|
| any terminal O |
4949 |
3647 |
|
|
| any C=O |
2879 |
3647 |
|
|
| amide C=O |
279 |
1677 |
|
|
| ester C=O |
783 |
|
|
|
| carboxylate |
120 |
764 |
|
|
| aliphatic ether |
2410 |
|
|
|
| linking O in esters |
229 |
|
|
|
| aromatic O |
46 |
|
|
|
| sulfoxide/sulfone O |
131 |
|
|
|
| nitro |
526 |
* |
|
|
* 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 |
953 |
107 |
|
|
| any C=S |
151 |
|
|
|
| aliphatic thioether |
67 |
71 |
|
|
| aromatic S |
89 |
|
|
|
* 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 |
2695 |
1 |
|
|
| any C-Cl |
1016 |
|
|
|
| any C-Br |
336 |
|
|
|
| any C-I |
106 |
|
|
|
| chloride ion |
183 |
|
|
|
| bromide ion |
64 |
|
|
|
| iodide ion |
97 |
|
|
|
* 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 |
9 |
|
|
|
| sodium ion |
25 |
|
|
|
| potassium ion |
91 |
|
|
|
| rubidium ion |
16 |
|
|
|
| cesuim ion |
47 |
|
|
|
* 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 |
49 |
763 |
|
|
| imidazole |
* |
456 |
|
|
| guanidinium |
* |
721 |
|
|
* This search has not been done.
|
|
