|
aliphatic-aromatic ether
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 |
9991 |
4859 |
|
|
any polar X-H (X= N,O or S) |
4956 |
1923 |
|
|
* 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 |
2039 |
|
|
methylene |
1998 |
565 |
|
|
methyl |
1998 |
787 |
|
|
any aromatic C-H |
4987 |
769 |
|
|
substituted aromatic carbon |
2339 |
76 |
|
|
phenyl |
1427 |
320 |
|
|
* 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 |
3634 |
610 |
|
|
any uncharged NH |
2235 |
* |
|
|
any cationic NH |
915 |
* |
|
|
aromatic cationic N-H |
150 |
* |
|
|
amide NH |
541 |
185 |
|
|
uncharged C(sp2)/C(ar)-NH2 |
382 |
* |
|
|
cationic RNH3 |
221 |
39 |
|
|
cationic R3NH |
22 |
* |
|
|
* 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 |
4958 |
1237 |
|
|
alcohol OH |
1445 |
101 |
|
|
phenol OH |
1323 |
72 |
|
|
water |
2066 |
1064 |
|
|
* 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 |
1327 |
33 |
|
|
cyano |
1230 |
|
|
|
pyramidal R3N |
85 |
* |
|
|
uncharged planar R3N |
601 |
1 |
|
|
cationic planar R3N |
103 |
|
|
|
any terminal O |
2049 |
565 |
|
|
any C=O |
2595 |
565 |
|
|
amide C=O |
865 |
261 |
|
|
ester C=O |
1508 |
|
|
|
carboxylate |
238 |
125 |
|
|
aliphatic ether |
211 |
|
|
|
linking O in esters |
858 |
|
|
|
aromatic O |
294 |
|
|
|
sulfoxide/sulfone O |
125 |
|
|
|
nitro |
1210 |
* |
|
|
* 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 |
1448 |
142 |
|
|
any C=S |
201 |
|
|
|
aliphatic thioether |
63 |
61 |
|
|
aromatic S |
|
|
|
|
* 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 |
2239 |
|
|
|
any C-Cl |
4130 |
|
|
|
any C-Br |
1057 |
|
|
|
any C-I |
304 |
|
|
|
chloride ion |
77 |
|
|
|
bromide ion |
21 |
|
|
|
iodide ion |
6 |
|
|
|
* 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 |
4 |
|
|
|
sodium ion |
38 |
|
|
|
potassium ion |
65 |
|
|
|
rubidium ion |
29 |
|
|
|
cesuim ion |
35 |
|
|
|
* 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 |
134 |
262 |
|
|
imidazole |
* |
134 |
|
|
guanidinium |
* |
79 |
|
|
* This search has not been done.
|
|