|
methanol
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 |
2426 |
* |
|
|
any polar X-H (X= N,O or S) |
1998 |
* |
|
|
* 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 |
1991 |
* |
|
|
methylene |
1242 |
* |
|
|
methyl |
1249 |
* |
|
|
any aromatic C-H |
1998 |
* |
|
|
substituted aromatic carbon |
1417 |
* |
|
|
phenyl |
995 |
* |
|
|
* 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 |
1998 |
* |
|
|
any uncharged NH |
1974 |
* |
|
|
any cationic NH |
1304 |
* |
|
|
aromatic cationic N-H |
238 |
* |
|
|
amide NH |
994 |
* |
|
|
uncharged C(sp2)/C(ar)-NH2 |
425 |
* |
|
|
cationic RNH3 |
216 |
* |
|
|
cationic R3NH |
101 |
* |
|
|
* 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 |
1998 |
* |
|
|
alcohol OH |
1665 |
* |
|
|
phenol OH |
1627 |
* |
|
|
water |
1646 |
* |
|
|
* 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 |
1633 |
* |
|
|
cyano |
630 |
* |
|
|
pyramidal R3N |
219 |
* |
|
|
uncharged planar R3N |
505 |
* |
|
|
cationic planar R3N |
68 |
* |
|
|
any terminal O |
1998 |
* |
|
|
any C=O |
1998 |
* |
|
|
amide C=O |
1110 |
* |
|
|
ester C=O |
859 |
* |
|
|
carboxylate |
693 |
* |
|
|
aliphatic ether |
358 |
* |
|
|
linking O in esters |
430 |
* |
|
|
aromatic O |
179 |
* |
|
|
sulfoxide/sulfone O |
109 |
* |
|
|
nitro |
707 |
* |
|
|
* 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 |
2471 |
* |
|
|
any C=S |
680 |
* |
|
|
aliphatic thioether |
36 |
* |
|
|
aromatic S |
284 |
* |
|
|
* 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 |
1694 |
* |
|
|
any C-Cl |
1602 |
* |
|
|
any C-Br |
881 |
* |
|
|
any C-I |
198 |
* |
|
|
chloride ion |
1434 |
* |
|
|
bromide ion |
473 |
* |
|
|
iodide ion |
195 |
* |
|
|
* 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 |
7 |
* |
|
|
sodium ion |
79 |
* |
|
|
potassium ion |
61 |
* |
|
|
rubidium ion |
13 |
* |
|
|
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 |
423 |
* |
|
|
imidazole |
* |
* |
|
|
guanidinium |
* |
* |
|
|
* This search has not been done.
|
|