|
aromatic methoxy
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 |
9958 |
7579 |
|
|
any polar X-H (X= N,O or S) |
4995 |
2784 |
|
|
* 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 |
4995 |
2780 |
|
|
methylene |
1972 |
715 |
|
|
methyl |
1959 |
1126 |
|
|
any aromatic C-H |
4993 |
1182 |
|
|
substituted aromatic carbon |
2497 |
159 |
|
|
phenyl |
1400 |
467 |
|
|
* 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 |
4995 |
684 |
|
|
any uncharged NH |
4642 |
* |
|
|
any cationic NH |
889 |
* |
|
|
aromatic cationic N-H |
253 |
* |
|
|
amide NH |
1138 |
261 |
|
|
uncharged C(sp2)/C(ar)-NH2 |
711 |
* |
|
|
cationic RNH3 |
161 |
40 |
|
|
cationic R3NH |
24 |
* |
|
|
* 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 |
4995 |
2045 |
|
|
alcohol OH |
3330 |
192 |
|
|
phenol OH |
3330 |
145 |
|
|
water |
3330 |
1708 |
|
|
* 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 |
3252 |
33 |
|
|
cyano |
3330 |
|
|
|
pyramidal R3N |
471 |
* |
|
|
uncharged planar R3N |
1610 |
1 |
|
|
cationic planar R3N |
115 |
|
|
|
any terminal O |
4995 |
1397 |
|
|
any C=O |
4995 |
1397 |
|
|
amide C=O |
1665 |
627 |
|
|
ester C=O |
1975 |
|
|
|
carboxylate |
776 |
240 |
|
|
aliphatic ether |
1765 |
|
|
|
linking O in esters |
1998 |
|
|
|
aromatic O |
1070 |
|
|
|
sulfoxide/sulfone O |
1242 |
|
|
|
nitro |
2497 |
* |
|
|
* 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 |
8408 |
185 |
|
|
any C=S |
1434 |
|
|
|
aliphatic thioether |
340 |
117 |
|
|
aromatic S |
1156 |
|
|
|
* 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 |
|
|
|
|
any C-Cl |
4987 |
|
|
|
any C-Br |
4466 |
|
|
|
any C-I |
985 |
|
|
|
chloride ion |
908 |
|
|
|
bromide ion |
279 |
|
|
|
iodide ion |
323 |
|
|
|
* 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 |
6 |
|
|
|
sodium ion |
37 |
|
|
|
potassium ion |
58 |
|
|
|
rubidium ion |
6 |
|
|
|
cesuim ion |
33 |
|
|
|
* 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 |
321 |
295 |
|
|
imidazole |
* |
110 |
|
|
guanidinium |
* |
92 |
|
|
* This search has not been done.
|
|