|
t-butyl
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 |
9829 |
1699 |
|
|
any polar X-H (X= N,O or S) |
4850 |
442 |
|
|
* 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 |
4954 |
730 |
|
|
methylene |
1948 |
123 |
|
|
methyl |
1929 |
355 |
|
|
any aromatic C-H |
4916 |
253 |
|
|
substituted aromatic carbon |
2496 |
18 |
|
|
phenyl |
1385 |
56 |
|
|
* 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 |
4387 |
105 |
|
|
any uncharged NH |
2089 |
* |
|
|
any cationic NH |
243 |
* |
|
|
aromatic cationic N-H |
95 |
* |
|
|
amide NH |
677 |
40 |
|
|
uncharged C(sp2)/C(ar)-NH2 |
165 |
* |
|
|
cationic RNH3 |
20 |
8 |
|
|
cationic R3NH |
5 |
* |
|
|
* 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 |
4853 |
321 |
|
|
alcohol OH |
2343 |
29 |
|
|
phenol OH |
2514 |
49 |
|
|
water |
1252 |
243 |
|
|
* 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 |
3310 |
14 |
|
|
cyano |
3242 |
|
|
|
pyramidal R3N |
203 |
* |
|
|
uncharged planar R3N |
1392 |
|
|
|
cationic planar R3N |
67 |
|
|
|
any terminal O |
4992 |
288 |
|
|
any C=O |
4992 |
288 |
|
|
amide C=O |
1635 |
205 |
|
|
ester C=O |
1997 |
|
|
|
carboxylate |
275 |
27 |
|
|
aliphatic ether |
3049 |
|
|
|
linking O in esters |
1316 |
|
|
|
aromatic O |
509 |
|
|
|
sulfoxide/sulfone O |
1201 |
|
|
|
nitro |
2122 |
* |
|
|
* 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 |
8658 |
46 |
|
|
any C=S |
918 |
|
|
|
aliphatic thioether |
238 |
30 |
|
|
aromatic S |
889 |
|
|
|
* 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 |
4992 |
|
|
|
any C-Cl |
4969 |
|
|
|
any C-Br |
2162 |
|
|
|
any C-I |
450 |
|
|
|
chloride ion |
456 |
|
|
|
bromide ion |
226 |
|
|
|
iodide ion |
149 |
|
|
|
* 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 |
24 |
|
|
|
sodium ion |
157 |
|
|
|
potassium ion |
351 |
|
|
|
rubidium ion |
8 |
|
|
|
cesuim ion |
62 |
|
|
|
* 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 |
86 |
27 |
|
|
imidazole |
* |
65 |
|
|
guanidinium |
* |
35 |
|
|
* This search has not been done.
|
|