|
chloroform
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 |
9881 |
* |
|
|
any polar X-H (X= N,O or S) |
3389 |
* |
|
|
* 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 |
4898 |
* |
|
|
methylene |
1978 |
* |
|
|
methyl |
1998 |
* |
|
|
any aromatic C-H |
4945 |
* |
|
|
substituted aromatic carbon |
2479 |
* |
|
|
phenyl |
1415 |
* |
|
|
* 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 |
1819 |
* |
|
|
any uncharged NH |
1295 |
* |
|
|
any cationic NH |
93 |
* |
|
|
aromatic cationic N-H |
53 |
* |
|
|
amide NH |
279 |
* |
|
|
uncharged C(sp2)/C(ar)-NH2 |
72 |
* |
|
|
cationic RNH3 |
2 |
* |
|
|
cationic R3NH |
4 |
* |
|
|
* 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 |
1563 |
* |
|
|
alcohol OH |
486 |
* |
|
|
phenol OH |
434 |
* |
|
|
water |
219 |
* |
|
|
* 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 |
3141 |
* |
|
|
cyano |
694 |
* |
|
|
pyramidal R3N |
115 |
* |
|
|
uncharged planar R3N |
923 |
* |
|
|
cationic planar R3N |
46 |
* |
|
|
any terminal O |
4959 |
* |
|
|
any C=O |
4967 |
* |
|
|
amide C=O |
903 |
* |
|
|
ester C=O |
1291 |
* |
|
|
carboxylate |
72 |
* |
|
|
aliphatic ether |
462 |
* |
|
|
linking O in esters |
588 |
* |
|
|
aromatic O |
166 |
* |
|
|
sulfoxide/sulfone O |
244 |
* |
|
|
nitro |
639 |
* |
|
|
* 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 |
3889 |
* |
|
|
any C=S |
400 |
* |
|
|
aliphatic thioether |
66 |
* |
|
|
aromatic S |
570 |
* |
|
|
* 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 |
4024 |
* |
|
|
any C-Cl |
4957 |
* |
|
|
any C-Br |
760 |
* |
|
|
any C-I |
179 |
* |
|
|
chloride ion |
902 |
* |
|
|
bromide ion |
268 |
* |
|
|
iodide ion |
240 |
* |
|
|
* 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 |
1 |
* |
|
|
sodium ion |
1 |
* |
|
|
potassium ion |
|
* |
|
|
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 |
51 |
* |
|
|
imidazole |
* |
* |
|
|
guanidinium |
* |
* |
|
|
* This search has not been done.
|
|