|
acetoxy
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 |
2442 |
294 |
|
|
any polar X-H (X= N,O or S) |
1998 |
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
C,H only
|
Links to statistical data |
Links to theoretical energy data |
Contact Group |
CSD |
PDB |
Stats |
Theory |
any alkyl C-H |
1975 |
102 |
|
|
methylene |
1248 |
31 |
|
|
methyl |
1248 |
73 |
|
|
any aromatic C-H |
1998 |
79 |
|
|
substituted aromatic carbon |
1427 |
5 |
|
|
phenyl |
999 |
31 |
|
|
* 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 |
1515 |
33 |
|
|
any uncharged NH |
1103 |
* |
|
|
any cationic NH |
32 |
* |
|
|
aromatic cationic N-H |
11 |
* |
|
|
amide NH |
314 |
23 |
|
|
uncharged C(sp2)/C(ar)-NH2 |
95 |
* |
|
|
cationic RNH3 |
1 |
3 |
|
|
cationic R3NH |
2 |
* |
|
|
* 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 |
137 |
|
|
alcohol OH |
1665 |
11 |
|
|
phenol OH |
593 |
7 |
|
|
water |
542 |
107 |
|
|
* 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 |
1260 |
1 |
|
|
cyano |
523 |
|
|
|
pyramidal R3N |
57 |
* |
|
|
uncharged planar R3N |
287 |
1 |
|
|
cationic planar R3N |
6 |
|
|
|
any terminal O |
1998 |
26 |
|
|
any C=O |
1998 |
26 |
|
|
amide C=O |
534 |
25 |
|
|
ester C=O |
1248 |
|
|
|
carboxylate |
37 |
2 |
|
|
aliphatic ether |
552 |
|
|
|
linking O in esters |
1248 |
|
|
|
aromatic O |
253 |
|
|
|
sulfoxide/sulfone O |
155 |
|
|
|
nitro |
903 |
* |
|
|
* 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 |
1049 |
5 |
|
|
any C=S |
174 |
|
|
|
aliphatic thioether |
176 |
|
|
|
aromatic S |
104 |
|
|
|
* 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 |
1003 |
|
|
|
any C-Cl |
1943 |
|
|
|
any C-Br |
752 |
|
|
|
any C-I |
147 |
|
|
|
chloride ion |
33 |
|
|
|
bromide ion |
34 |
|
|
|
iodide ion |
12 |
|
|
|
* 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 |
|
|
|
|
potassium ion |
4 |
|
|
|
rubidium ion |
|
|
|
|
cesuim ion |
|
|
|
|
* 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 |
76 |
16 |
|
|
imidazole |
* |
7 |
|
|
guanidinium |
* |
6 |
|
|
* This search has not been done.
|
|