|
aliphatic 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 |
2498 |
3200 |
|
|
any polar X-H (X= N,O or S) |
1976 |
1848 |
|
|
* 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 |
1998 |
989 |
|
|
methylene |
1229 |
287 |
|
|
methyl |
1224 |
285 |
|
|
any aromatic C-H |
1982 |
422 |
|
|
substituted aromatic carbon |
1407 |
46 |
|
|
phenyl |
994 |
115 |
|
|
* 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 |
1299 |
474 |
|
|
any uncharged NH |
747 |
* |
|
|
any cationic NH |
124 |
* |
|
|
aromatic cationic N-H |
10 |
* |
|
|
amide NH |
163 |
79 |
|
|
uncharged C(sp2)/C(ar)-NH2 |
127 |
* |
|
|
cationic RNH3 |
38 |
153 |
|
|
cationic R3NH |
9 |
* |
|
|
* 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 |
1980 |
1356 |
|
|
alcohol OH |
1665 |
80 |
|
|
phenol OH |
405 |
103 |
|
|
water |
818 |
1173 |
|
|
* 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 |
712 |
14 |
|
|
cyano |
735 |
|
|
|
pyramidal R3N |
50 |
* |
|
|
uncharged planar R3N |
236 |
|
|
|
cationic planar R3N |
29 |
|
|
|
any terminal O |
1981 |
631 |
|
|
any C=O |
1954 |
631 |
|
|
amide C=O |
399 |
279 |
|
|
ester C=O |
1249 |
|
|
|
carboxylate |
67 |
111 |
|
|
aliphatic ether |
1646 |
|
|
|
linking O in esters |
905 |
|
|
|
aromatic O |
84 |
|
|
|
sulfoxide/sulfone O |
241 |
|
|
|
nitro |
691 |
* |
|
|
* 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 |
1093 |
57 |
|
|
any C=S |
145 |
|
|
|
aliphatic thioether |
127 |
38 |
|
|
aromatic S |
105 |
|
|
|
* 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 |
1990 |
|
|
|
any C-Cl |
1998 |
|
|
|
any C-Br |
709 |
|
|
|
any C-I |
180 |
|
|
|
chloride ion |
192 |
|
|
|
bromide ion |
42 |
|
|
|
iodide ion |
76 |
|
|
|
* 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 |
10 |
|
|
|
sodium ion |
19 |
|
|
|
potassium ion |
70 |
|
|
|
rubidium ion |
14 |
|
|
|
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 |
122 |
170 |
|
|
imidazole |
* |
69 |
|
|
guanidinium |
* |
73 |
|
|
* This search has not been done.
|
|