|
carbamate; trans,trans
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 |
9921 |
1069 |
|
|
| any polar X-H (X= N,O or S) |
4248 |
522 |
|
|
* 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 |
4996 |
390 |
|
|
| methylene |
1998 |
73 |
|
|
| methyl |
1998 |
99 |
|
|
| any aromatic C-H |
4993 |
77 |
|
|
| substituted aromatic carbon |
386 |
6 |
|
|
| phenyl |
1427 |
20 |
|
|
* 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 |
3172 |
139 |
|
|
| any uncharged NH |
3013 |
* |
|
|
| any cationic NH |
61 |
* |
|
|
| aromatic cationic N-H |
16 |
* |
|
|
| amide NH |
1665 |
81 |
|
|
| uncharged C(sp2)/C(ar)-NH2 |
60 |
* |
|
|
| cationic RNH3 |
10 |
4 |
|
|
| cationic R3NH |
|
* |
|
|
* 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 |
1073 |
380 |
|
|
| alcohol OH |
468 |
14 |
|
|
| phenol OH |
51 |
26 |
|
|
| water |
254 |
340 |
|
|
* 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 |
475 |
|
|
|
| cyano |
68 |
|
|
|
| pyramidal R3N |
14 |
* |
|
|
| uncharged planar R3N |
29 |
1 |
|
|
| cationic planar R3N |
3 |
|
|
|
|
| any terminal O |
4974 |
296 |
|
|
| any C=O |
4950 |
296 |
|
|
| amide C=O |
1665 |
220 |
|
|
| ester C=O |
728 |
|
|
|
| carboxylate |
44 |
57 |
|
|
| aliphatic ether |
85 |
|
|
|
| linking O in esters |
213 |
|
|
|
| aromatic O |
15 |
|
|
|
| sulfoxide/sulfone O |
52 |
|
|
|
| nitro |
206 |
* |
|
|
* 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 |
437 |
3 |
|
|
| any C=S |
208 |
|
|
|
| aliphatic thioether |
17 |
|
|
|
| aromatic S |
27 |
|
|
|
* 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 |
167 |
|
|
|
| any C-Cl |
330 |
|
|
|
| any C-Br |
131 |
|
|
|
| any C-I |
33 |
|
|
|
| chloride ion |
25 |
|
|
|
| bromide ion |
8 |
|
|
|
| iodide 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
|
Alkali Metal
|
|
Links to statistical data |
Links to theoretical energy data |
| Contact Group |
CSD |
PDB |
Stats |
Theory |
| lithium ion |
|
|
|
|
| sodium ion |
6 |
|
|
|
| potassium ion |
|
|
|
|
| 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 |
63 |
27 |
|
|
| imidazole |
* |
8 |
|
|
| guanidinium |
* |
27 |
|
|
* This search has not been done.
|
|
