|
ethane-1,2-diyl; gauche
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 |
9991 |
2917 |
|
|
| any polar X-H (X= N,O or S) |
4995 |
1321 |
|
|
* 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 |
4991 |
1012 |
|
|
| methylene |
1998 |
214 |
|
|
| methyl |
1998 |
570 |
|
|
| any aromatic C-H |
4959 |
795 |
|
|
| substituted aromatic carbon |
2497 |
162 |
|
|
| phenyl |
1427 |
329 |
|
|
* 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 |
2437 |
209 |
|
|
| any uncharged NH |
1569 |
* |
|
|
| any cationic NH |
293 |
* |
|
|
| aromatic cationic N-H |
58 |
* |
|
|
| amide NH |
652 |
50 |
|
|
| uncharged C(sp2)/C(ar)-NH2 |
183 |
* |
|
|
| cationic RNH3 |
82 |
27 |
|
|
| cationic R3NH |
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
|
O-H
|
|
Links to statistical data |
Links to theoretical energy data |
| Contact Group |
CSD |
PDB |
Stats |
Theory |
| any OH |
4603 |
1053 |
|
|
| alcohol OH |
484 |
111 |
|
|
| phenol OH |
438 |
137 |
|
|
| water |
1435 |
805 |
|
|
* 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 |
1391 |
26 |
|
|
| cyano |
1320 |
|
|
|
| pyramidal R3N |
20 |
* |
|
|
| uncharged planar R3N |
463 |
1 |
|
|
| cationic planar R3N |
38 |
|
|
|
|
| any terminal O |
4990 |
432 |
|
|
| any C=O |
4975 |
432 |
|
|
| amide C=O |
1230 |
188 |
|
|
| ester C=O |
866 |
|
|
|
| carboxylate |
423 |
197 |
|
|
| aliphatic ether |
159 |
|
|
|
| linking O in esters |
364 |
|
|
|
| aromatic O |
65 |
|
|
|
| sulfoxide/sulfone O |
130 |
|
|
|
| nitro |
625 |
* |
|
|
* 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 |
3261 |
104 |
|
|
| any C=S |
654 |
|
|
|
| aliphatic thioether |
24 |
101 |
|
|
| aromatic S |
552 |
|
|
|
* 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 |
2830 |
|
|
|
| any C-Cl |
1898 |
|
|
|
| any C-Br |
467 |
|
|
|
| any C-I |
177 |
|
|
|
| chloride ion |
402 |
|
|
|
| bromide ion |
209 |
|
|
|
| iodide ion |
84 |
|
|
|
* 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 |
37 |
|
|
|
| potassium ion |
29 |
|
|
|
| rubidium ion |
2 |
|
|
|
| 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 |
237 |
91 |
|
|
| imidazole |
* |
129 |
|
|
| guanidinium |
* |
92 |
|
|
* This search has not been done.
|
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