|
guanidinio (R)
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 |
7062 |
9987 |
|
|
| any polar X-H (X= N,O or S) |
1249 |
9994 |
|
|
* 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 |
1553 |
5016 |
|
|
| methylene |
358 |
1058 |
|
|
| methyl |
70 |
863 |
|
|
| any aromatic C-H |
321 |
1201 |
|
|
| substituted aromatic carbon |
48 |
650 |
|
|
| phenyl |
29 |
290 |
|
|
* 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 |
754 |
798 |
|
|
| any uncharged NH |
146 |
* |
|
|
| any cationic NH |
355 |
* |
|
|
| aromatic cationic N-H |
|
* |
|
|
| amide NH |
7 |
140 |
|
|
| uncharged C(sp2)/C(ar)-NH2 |
5 |
* |
|
|
| cationic RNH3 |
86 |
28 |
|
|
| 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 |
503 |
9986 |
|
|
| alcohol OH |
49 |
2983 |
|
|
| phenol OH |
9 |
251 |
|
|
| water |
271 |
8827 |
|
|
* 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 |
34 |
1284 |
|
|
| cyano |
5 |
97 |
|
|
| pyramidal R3N |
|
* |
|
|
| uncharged planar R3N |
1 |
141 |
|
|
| cationic planar R3N |
|
9 |
|
|
|
| any terminal O |
1432 |
4688 |
|
|
| any C=O |
647 |
4688 |
|
|
| amide C=O |
15 |
760 |
|
|
| ester C=O |
5 |
190 |
|
|
| carboxylate |
365 |
2475 |
|
|
| aliphatic ether |
4 |
5 |
|
|
| linking O in esters |
1 |
59 |
|
|
| aromatic O |
1 |
16 |
|
|
| sulfoxide/sulfone O |
1 |
12 |
|
|
| nitro |
14 |
* |
|
|
* 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 |
217 |
581 |
|
|
| any C=S |
5 |
12 |
|
|
| aliphatic thioether |
|
61 |
|
|
| aromatic S |
1 |
31 |
|
|
* 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 |
12 |
207 |
|
|
| any C-Cl |
|
100 |
|
|
| any C-Br |
|
30 |
|
|
| any C-I |
|
5 |
|
|
| chloride ion |
94 |
56 |
|
|
| bromide ion |
27 |
2 |
|
|
| iodide ion |
19 |
7 |
|
|
* 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 |
4 |
25 |
|
|
| potassium ion |
|
6 |
|
|
| rubidium ion |
|
|
|
|
| cesuim 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
|
Amino acid
|
|
Links to statistical data |
Links to theoretical energy data |
| Contact Group |
CSD |
PDB |
Stats |
Theory |
| CONH2 |
2 |
231 |
|
|
| imidazole |
* |
64 |
|
|
| guanidinium |
* |
31 |
|
|
* This search has not been done.
|
|
