|
phosphonato
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 |
9993 |
7121 |
|
|
| any polar X-H (X= N,O or S) |
4996 |
4794 |
|
|
* 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 |
4071 |
1867 |
|
|
| methylene |
456 |
371 |
|
|
| methyl |
452 |
83 |
|
|
| any aromatic C-H |
1077 |
75 |
|
|
| substituted aromatic carbon |
47 |
|
|
|
| phenyl |
118 |
11 |
|
|
* 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 |
2310 |
2178 |
|
|
| any uncharged NH |
93 |
* |
|
|
| any cationic NH |
2022 |
* |
|
|
| aromatic cationic N-H |
248 |
* |
|
|
| amide NH |
6 |
665 |
|
|
| uncharged C(sp2)/C(ar)-NH2 |
19 |
* |
|
|
| cationic RNH3 |
518 |
397 |
|
|
| cationic R3NH |
78 |
* |
|
|
* 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 |
4018 |
2589 |
|
|
| alcohol OH |
103 |
367 |
|
|
| phenol OH |
11 |
63 |
|
|
| water |
1012 |
2159 |
|
|
* 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 |
28 |
16 |
|
|
| cyano |
|
|
|
|
| pyramidal R3N |
1 |
* |
|
|
| uncharged planar R3N |
8 |
|
|
|
| cationic planar R3N |
1 |
|
|
|
|
| any terminal O |
1386 |
966 |
|
|
| any C=O |
152 |
966 |
|
|
| amide C=O |
9 |
316 |
|
|
| ester C=O |
|
|
|
|
| carboxylate |
19 |
794 |
|
|
| aliphatic ether |
|
|
|
|
| linking O in esters |
|
|
|
|
| aromatic O |
1 |
|
|
|
| sulfoxide/sulfone O |
1 |
|
|
|
| nitro |
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
|
Sulfur
|
|
Links to statistical data |
Links to theoretical energy data |
| Contact Group |
CSD |
PDB |
Stats |
Theory |
| any S |
12 |
28 |
|
|
| any C=S |
|
|
|
|
| aliphatic thioether |
2 |
1 |
|
|
| aromatic S |
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
|
Halo/Halide
|
|
Links to statistical data |
Links to theoretical energy data |
| Contact Group |
CSD |
PDB |
Stats |
Theory |
| any C-F |
46 |
|
|
|
| any C-Cl |
10 |
|
|
|
| any C-Br |
3 |
|
|
|
| any C-I |
|
|
|
|
| chloride ion |
6 |
|
|
|
| bromide ion |
2 |
|
|
|
| iodide ion |
|
|
|
|
* 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 |
56 |
|
|
|
| potassium ion |
32 |
|
|
|
| rubidium ion |
29 |
|
|
|
| cesuim ion |
46 |
|
|
|
* 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 |
8 |
213 |
|
|
| imidazole |
* |
188 |
|
|
| guanidinium |
* |
440 |
|
|
* This search has not been done.
|
|
