|
N(ar)-CH-N(ar)
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 |
9942 |
9987 |
|
|
| any polar X-H (X= N,O or S) |
4018 |
4803 |
|
|
* 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 |
4967 |
4433 |
|
|
| methylene |
813 |
1158 |
|
|
| methyl |
1296 |
1796 |
|
|
| any aromatic C-H |
4956 |
1390 |
|
|
| substituted aromatic carbon |
761 |
307 |
|
|
| phenyl |
723 |
705 |
|
|
* 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 |
1873 |
2034 |
|
|
| any uncharged NH |
557 |
* |
|
|
| any cationic NH |
72 |
* |
|
|
| aromatic cationic N-H |
22 |
* |
|
|
| amide NH |
48 |
1644 |
|
|
| uncharged C(sp2)/C(ar)-NH2 |
59 |
* |
|
|
| cationic RNH3 |
8 |
87 |
|
|
| 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 |
2142 |
2609 |
|
|
| alcohol OH |
591 |
291 |
|
|
| phenol OH |
122 |
164 |
|
|
| water |
554 |
2154 |
|
|
* 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 |
2824 |
14 |
|
|
| cyano |
100 |
|
|
|
| pyramidal R3N |
8 |
* |
|
|
| uncharged planar R3N |
262 |
30 |
|
|
| cationic planar R3N |
10 |
|
|
|
|
| any terminal O |
916 |
2369 |
|
|
| any C=O |
626 |
2369 |
|
|
| amide C=O |
47 |
1806 |
|
|
| ester C=O |
100 |
|
|
|
| carboxylate |
11 |
209 |
|
|
| aliphatic ether |
17 |
|
|
|
| linking O in esters |
44 |
|
|
|
| aromatic O |
31 |
|
|
|
| sulfoxide/sulfone O |
15 |
|
|
|
| nitro |
204 |
* |
|
|
* 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 |
258 |
197 |
|
|
| any C=S |
53 |
|
|
|
| aliphatic thioether |
16 |
170 |
|
|
| aromatic S |
63 |
|
|
|
* 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 |
286 |
|
|
|
| any C-Cl |
391 |
|
|
|
| any C-Br |
95 |
|
|
|
| any C-I |
51 |
|
|
|
| chloride ion |
22 |
|
|
|
| bromide ion |
5 |
|
|
|
| iodide ion |
2 |
|
|
|
* 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 |
15 |
|
|
|
| potassium ion |
27 |
|
|
|
| rubidium ion |
1 |
|
|
|
| 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 |
30 |
354 |
|
|
| imidazole |
* |
231 |
|
|
| guanidinium |
* |
493 |
|
|
* This search has not been done.
|
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