|
pyridine
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 |
9934 |
* |
|
|
any polar X-H (X= N,O or S) |
2266 |
* |
|
|
* 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 |
4960 |
* |
|
|
methylene |
1165 |
* |
|
|
methyl |
1943 |
* |
|
|
any aromatic C-H |
4994 |
* |
|
|
substituted aromatic carbon |
2475 |
* |
|
|
phenyl |
1097 |
* |
|
|
* 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 |
592 |
* |
|
|
any uncharged NH |
220 |
* |
|
|
any cationic NH |
97 |
* |
|
|
aromatic cationic N-H |
73 |
* |
|
|
amide NH |
15 |
* |
|
|
uncharged C(sp2)/C(ar)-NH2 |
29 |
* |
|
|
cationic RNH3 |
3 |
* |
|
|
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 |
1674 |
* |
|
|
alcohol OH |
195 |
* |
|
|
phenol OH |
564 |
* |
|
|
water |
149 |
* |
|
|
* 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 |
1861 |
* |
|
|
cyano |
41 |
* |
|
|
pyramidal R3N |
5 |
* |
|
|
uncharged planar R3N |
46 |
* |
|
|
cationic planar R3N |
2 |
* |
|
|
any terminal O |
1859 |
* |
|
|
any C=O |
1385 |
* |
|
|
amide C=O |
31 |
* |
|
|
ester C=O |
100 |
* |
|
|
carboxylate |
17 |
* |
|
|
aliphatic ether |
35 |
* |
|
|
linking O in esters |
47 |
* |
|
|
aromatic O |
30 |
* |
|
|
sulfoxide/sulfone O |
6 |
* |
|
|
nitro |
94 |
* |
|
|
* 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 |
437 |
* |
|
|
any C=S |
86 |
* |
|
|
aliphatic thioether |
1 |
* |
|
|
aromatic S |
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
Halo/Halide
|
Links to statistical data |
Links to theoretical energy data |
Contact Group |
CSD |
PDB |
Stats |
Theory |
any C-F |
770 |
* |
|
|
any C-Cl |
146 |
* |
|
|
any C-Br |
51 |
* |
|
|
any C-I |
84 |
* |
|
|
chloride ion |
50 |
* |
|
|
bromide ion |
9 |
* |
|
|
iodide ion |
84 |
* |
|
|
* 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 |
9 |
* |
|
|
potassium ion |
11 |
* |
|
|
rubidium ion |
1 |
* |
|
|
cesuim ion |
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
Amino acid
|
Links to statistical data |
Links to theoretical energy data |
Contact Group |
CSD |
PDB |
Stats |
Theory |
CONH2 |
26 |
* |
|
|
imidazole |
* |
* |
|
|
guanidinium |
* |
* |
|
|
* This search has not been done.
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