|
aromatic 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 |
9991 |
1125 |
|
|
| any polar X-H (X= N,O or S) |
2050 |
268 |
|
|
* 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 |
4995 |
221 |
|
|
| methylene |
1447 |
60 |
|
|
| methyl |
1998 |
91 |
|
|
| any aromatic C-H |
4995 |
374 |
|
|
| substituted aromatic carbon |
1698 |
87 |
|
|
| phenyl |
991 |
32 |
|
|
* 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 |
548 |
114 |
|
|
| any uncharged NH |
236 |
* |
|
|
| any cationic NH |
164 |
* |
|
|
| aromatic cationic N-H |
21 |
* |
|
|
| amide NH |
81 |
6 |
|
|
| uncharged C(sp2)/C(ar)-NH2 |
37 |
* |
|
|
| cationic RNH3 |
52 |
3 |
|
|
| 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 |
1502 |
135 |
|
|
| alcohol OH |
127 |
17 |
|
|
| phenol OH |
65 |
25 |
|
|
| water |
424 |
93 |
|
|
* 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 |
439 |
11 |
|
|
| cyano |
193 |
|
|
|
| pyramidal R3N |
2 |
* |
|
|
| uncharged planar R3N |
71 |
|
|
|
| cationic planar R3N |
3 |
|
|
|
|
| any terminal O |
1546 |
85 |
|
|
| any C=O |
1362 |
85 |
|
|
| amide C=O |
166 |
34 |
|
|
| ester C=O |
297 |
|
|
|
| carboxylate |
81 |
15 |
|
|
| aliphatic ether |
45 |
|
|
|
| linking O in esters |
122 |
|
|
|
| aromatic O |
21 |
|
|
|
| sulfoxide/sulfone O |
33 |
|
|
|
| nitro |
113 |
* |
|
|
* 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 |
194 |
32 |
|
|
| any C=S |
42 |
|
|
|
| aliphatic thioether |
|
11 |
|
|
| aromatic S |
30 |
|
|
|
* 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 |
370 |
|
|
|
| any C-Cl |
593 |
|
|
|
| any C-Br |
110 |
|
|
|
| any C-I |
39 |
|
|
|
| chloride ion |
18 |
|
|
|
| bromide ion |
10 |
|
|
|
| iodide ion |
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
|
Alkali Metal
|
|
Links to statistical data |
Links to theoretical energy data |
| Contact Group |
CSD |
PDB |
Stats |
Theory |
| lithium ion |
|
|
|
|
| sodium ion |
6 |
|
|
|
| potassium ion |
6 |
|
|
|
| rubidium ion |
2 |
|
|
|
| cesuim ion |
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
|
Amino acid
|
|
Links to statistical data |
Links to theoretical energy data |
| Contact Group |
CSD |
PDB |
Stats |
Theory |
| CONH2 |
19 |
10 |
|
|
| imidazole |
* |
101 |
|
|
| guanidinium |
* |
8 |
|
|
* This search has not been done.
|
|
