|
aliphatic oxymethylene; 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 |
9932 |
6409 |
|
|
| any polar X-H (X= N,O or S) |
717 |
2909 |
|
|
* 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 |
4961 |
1966 |
|
|
| methylene |
549 |
616 |
|
|
| methyl |
1761 |
546 |
|
|
| any aromatic C-H |
4910 |
917 |
|
|
| substituted aromatic carbon |
762 |
141 |
|
|
| phenyl |
1195 |
267 |
|
|
* 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 |
196 |
1009 |
|
|
| any uncharged NH |
75 |
* |
|
|
| any cationic NH |
36 |
* |
|
|
| aromatic cationic N-H |
3 |
* |
|
|
| amide NH |
14 |
179 |
|
|
| uncharged C(sp2)/C(ar)-NH2 |
13 |
* |
|
|
| cationic RNH3 |
14 |
264 |
|
|
| cationic R3NH |
|
* |
|
|
* 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 |
517 |
1881 |
|
|
| alcohol OH |
208 |
187 |
|
|
| phenol OH |
64 |
140 |
|
|
| water |
74 |
1554 |
|
|
* 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 |
130 |
19 |
|
|
| cyano |
88 |
|
|
|
| pyramidal R3N |
4 |
* |
|
|
| uncharged planar R3N |
41 |
4 |
|
|
| cationic planar R3N |
4 |
|
|
|
|
| any terminal O |
826 |
1241 |
|
|
| any C=O |
529 |
1241 |
|
|
| amide C=O |
45 |
562 |
|
|
| ester C=O |
165 |
|
|
|
| carboxylate |
23 |
246 |
|
|
| aliphatic ether |
515 |
|
|
|
| linking O in esters |
54 |
|
|
|
| aromatic O |
14 |
|
|
|
| sulfoxide/sulfone O |
18 |
|
|
|
| nitro |
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
|
Sulfur
|
|
Links to statistical data |
Links to theoretical energy data |
| Contact Group |
CSD |
PDB |
Stats |
Theory |
| any S |
130 |
46 |
|
|
| any C=S |
24 |
|
|
|
| aliphatic thioether |
13 |
25 |
|
|
| aromatic S |
13 |
|
|
|
* 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 |
354 |
1 |
|
|
| any C-Cl |
172 |
|
|
|
| any C-Br |
38 |
|
|
|
| any C-I |
14 |
|
|
|
| chloride ion |
27 |
|
|
|
| bromide ion |
6 |
|
|
|
| iodide ion |
15 |
|
|
|
* 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 |
9 |
|
|
|
| potassium ion |
7 |
|
|
|
| rubidium ion |
3 |
|
|
|
| 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 |
5 |
278 |
|
|
| imidazole |
* |
125 |
|
|
| guanidinium |
* |
258 |
|
|
* This search has not been done.
|
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