|
aliphatic-aromatic methylene
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 |
9927 |
1133 |
|
|
| any polar X-H (X= N,O or S) |
4395 |
367 |
|
|
* 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 |
4966 |
347 |
|
|
| methylene |
1967 |
60 |
|
|
| methyl |
1978 |
179 |
|
|
| any aromatic C-H |
4984 |
235 |
|
|
| substituted aromatic carbon |
2447 |
33 |
|
|
| phenyl |
1392 |
72 |
|
|
* 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 |
976 |
69 |
|
|
| any uncharged NH |
637 |
* |
|
|
| any cationic NH |
77 |
* |
|
|
| aromatic cationic N-H |
19 |
* |
|
|
| amide NH |
128 |
12 |
|
|
| uncharged C(sp2)/C(ar)-NH2 |
126 |
* |
|
|
| cationic RNH3 |
23 |
4 |
|
|
| cationic R3NH |
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
|
O-H
|
|
Links to statistical data |
Links to theoretical energy data |
| Contact Group |
CSD |
PDB |
Stats |
Theory |
| any OH |
3405 |
297 |
|
|
| alcohol OH |
964 |
26 |
|
|
| phenol OH |
1054 |
35 |
|
|
| water |
678 |
236 |
|
|
* 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 |
1782 |
2 |
|
|
| cyano |
1468 |
|
|
|
| pyramidal R3N |
107 |
* |
|
|
| uncharged planar R3N |
273 |
1 |
|
|
| cationic planar R3N |
9 |
|
|
|
|
| any terminal O |
4975 |
204 |
|
|
| any C=O |
4989 |
204 |
|
|
| amide C=O |
297 |
91 |
|
|
| ester C=O |
1662 |
|
|
|
| carboxylate |
152 |
75 |
|
|
| aliphatic ether |
289 |
|
|
|
| linking O in esters |
676 |
|
|
|
| aromatic O |
102 |
|
|
|
| sulfoxide/sulfone O |
212 |
|
|
|
| nitro |
751 |
* |
|
|
* 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 |
1440 |
15 |
|
|
| any C=S |
205 |
|
|
|
| aliphatic thioether |
113 |
12 |
|
|
| aromatic S |
155 |
|
|
|
* 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 |
2352 |
|
|
|
| any C-Cl |
2639 |
|
|
|
| any C-Br |
1250 |
|
|
|
| any C-I |
137 |
|
|
|
| chloride ion |
491 |
|
|
|
| bromide ion |
183 |
|
|
|
| iodide ion |
121 |
|
|
|
* 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 |
10 |
|
|
|
| potassium ion |
17 |
|
|
|
| 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 |
58 |
32 |
|
|
| imidazole |
* |
24 |
|
|
| guanidinium |
* |
30 |
|
|
* This search has not been done.
|
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