|
4-hydroxyphenyl
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 |
4982 |
3043 |
|
|
any polar X-H (X= N,O or S) |
3328 |
1096 |
|
|
* 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 |
3328 |
1392 |
|
|
methylene |
1664 |
422 |
|
|
methyl |
1664 |
498 |
|
|
any aromatic C-H |
3328 |
352 |
|
|
substituted aromatic carbon |
1997 |
65 |
|
|
phenyl |
1231 |
159 |
|
|
* 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 |
2586 |
339 |
|
|
any uncharged NH |
1063 |
* |
|
|
any cationic NH |
563 |
* |
|
|
aromatic cationic N-H |
87 |
* |
|
|
amide NH |
322 |
107 |
|
|
uncharged C(sp2)/C(ar)-NH2 |
324 |
* |
|
|
cationic RNH3 |
212 |
39 |
|
|
cationic R3NH |
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
O-H
|
Links to statistical data |
Links to theoretical energy data |
Contact Group |
CSD |
PDB |
Stats |
Theory |
any OH |
3328 |
738 |
|
|
alcohol OH |
774 |
108 |
|
|
phenol OH |
2496 |
45 |
|
|
water |
1886 |
585 |
|
|
* 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 |
1688 |
37 |
|
|
cyano |
347 |
|
|
|
pyramidal R3N |
82 |
* |
|
|
uncharged planar R3N |
311 |
17 |
|
|
cationic planar R3N |
69 |
|
|
|
any terminal O |
3328 |
464 |
|
|
any C=O |
3328 |
464 |
|
|
amide C=O |
560 |
186 |
|
|
ester C=O |
390 |
|
|
|
carboxylate |
385 |
169 |
|
|
aliphatic ether |
136 |
|
|
|
linking O in esters |
190 |
|
|
|
aromatic O |
107 |
|
|
|
sulfoxide/sulfone O |
85 |
|
|
|
nitro |
280 |
* |
|
|
* 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 |
461 |
57 |
|
|
any C=S |
76 |
|
|
|
aliphatic thioether |
42 |
67 |
|
|
aromatic S |
52 |
|
|
|
* 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 |
252 |
|
|
|
any C-Cl |
468 |
|
|
|
any C-Br |
136 |
|
|
|
any C-I |
26 |
|
|
|
chloride ion |
153 |
|
|
|
bromide ion |
38 |
|
|
|
iodide ion |
54 |
|
|
|
* 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 |
17 |
|
|
|
potassium ion |
10 |
|
|
|
rubidium ion |
|
|
|
|
cesuim ion |
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
Amino acid
|
Links to statistical data |
Links to theoretical energy data |
Contact Group |
CSD |
PDB |
Stats |
Theory |
CONH2 |
242 |
131 |
|
|
imidazole |
* |
153 |
|
|
guanidinium |
* |
145 |
|
|
* This search has not been done.
|
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