|
ethane-1,2-diyl; 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 |
|
8637 |
|
|
| any polar X-H (X= N,O or S) |
4995 |
3836 |
|
|
* 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 |
|
2870 |
|
|
| methylene |
1998 |
459 |
|
|
| methyl |
|
1614 |
|
|
| any aromatic C-H |
4995 |
2146 |
|
|
| substituted aromatic carbon |
2497 |
368 |
|
|
| phenyl |
1422 |
994 |
|
|
* 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 |
678 |
|
|
| any uncharged NH |
4963 |
* |
|
|
| any cationic NH |
1742 |
* |
|
|
| aromatic cationic N-H |
318 |
* |
|
|
| amide NH |
1665 |
136 |
|
|
| uncharged C(sp2)/C(ar)-NH2 |
695 |
* |
|
|
| cationic RNH3 |
544 |
61 |
|
|
| 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 |
4995 |
2881 |
|
|
| alcohol OH |
2830 |
343 |
|
|
| phenol OH |
2667 |
395 |
|
|
| water |
3330 |
2143 |
|
|
* 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 |
3330 |
90 |
|
|
| cyano |
3317 |
|
|
|
| pyramidal R3N |
109 |
* |
|
|
| uncharged planar R3N |
1915 |
3 |
|
|
| cationic planar R3N |
131 |
|
|
|
|
| any terminal O |
4982 |
1624 |
|
|
| any C=O |
4995 |
1624 |
|
|
| amide C=O |
1665 |
890 |
|
|
| ester C=O |
1998 |
|
|
|
| carboxylate |
2496 |
508 |
|
|
| aliphatic ether |
703 |
|
|
|
| linking O in esters |
1511 |
|
|
|
| aromatic O |
364 |
|
|
|
| sulfoxide/sulfone O |
771 |
|
|
|
| nitro |
2493 |
* |
|
|
* 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 |
9946 |
408 |
|
|
| any C=S |
2337 |
|
|
|
| aliphatic thioether |
191 |
365 |
|
|
| aromatic S |
3319 |
|
|
|
* 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 |
4995 |
|
|
|
| any C-Cl |
4993 |
|
|
|
| any C-Br |
2854 |
|
|
|
| any C-I |
1192 |
|
|
|
| chloride ion |
1472 |
|
|
|
| bromide ion |
924 |
|
|
|
| iodide ion |
423 |
|
|
|
* 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 |
15 |
|
|
|
| sodium ion |
137 |
|
|
|
| potassium ion |
149 |
|
|
|
| rubidium ion |
28 |
|
|
|
| cesuim ion |
20 |
|
|
|
* 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 |
1005 |
364 |
|
|
| imidazole |
* |
529 |
|
|
| guanidinium |
* |
626 |
|
|
* This search has not been done.
|
|
