|
pyridinium-1-yl
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 |
9939 |
9992 |
|
|
any polar X-H (X= N,O or S) |
4967 |
5866 |
|
|
* 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 |
4932 |
6061 |
|
|
methylene |
1327 |
1831 |
|
|
methyl |
1993 |
2347 |
|
|
any aromatic C-H |
4993 |
3318 |
|
|
substituted aromatic carbon |
2496 |
694 |
|
|
phenyl |
1192 |
333 |
|
|
* 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 |
766 |
836 |
|
|
any uncharged NH |
561 |
* |
|
|
any cationic NH |
34 |
* |
|
|
aromatic cationic N-H |
13 |
* |
|
|
amide NH |
79 |
134 |
|
|
uncharged C(sp2)/C(ar)-NH2 |
241 |
* |
|
|
cationic RNH3 |
5 |
58 |
|
|
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 |
4988 |
4469 |
|
|
alcohol OH |
376 |
1174 |
|
|
phenol OH |
457 |
1255 |
|
|
water |
3062 |
2040 |
|
|
* 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 |
958 |
23 |
|
|
cyano |
2545 |
|
|
|
pyramidal R3N |
16 |
* |
|
|
uncharged planar R3N |
564 |
1 |
|
|
cationic planar R3N |
717 |
|
|
|
any terminal O |
4993 |
4782 |
|
|
any C=O |
4993 |
4782 |
|
|
amide C=O |
149 |
1979 |
|
|
ester C=O |
258 |
|
|
|
carboxylate |
923 |
487 |
|
|
aliphatic ether |
1652 |
|
|
|
linking O in esters |
130 |
|
|
|
aromatic O |
11 |
|
|
|
sulfoxide/sulfone O |
177 |
|
|
|
nitro |
309 |
* |
|
|
* 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 |
4437 |
736 |
|
|
any C=S |
474 |
|
|
|
aliphatic thioether |
3 |
167 |
|
|
aromatic S |
76 |
|
|
|
* 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 |
1672 |
|
|
|
any C-Cl |
469 |
|
|
|
any C-Br |
256 |
|
|
|
any C-I |
185 |
|
|
|
chloride ion |
1382 |
|
|
|
bromide ion |
1361 |
|
|
|
iodide ion |
1452 |
|
|
|
* 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 |
47 |
|
|
|
potassium ion |
9 |
|
|
|
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 |
153 |
754 |
|
|
imidazole |
* |
129 |
|
|
guanidinium |
* |
119 |
|
|
* This search has not been done.
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