|
3-nitrophenyl
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 |
9985 |
722 |
|
|
| any polar X-H (X= N,O or S) |
1155 |
140 |
|
|
* 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 |
4992 |
163 |
|
|
| methylene |
850 |
48 |
|
|
| methyl |
1657 |
46 |
|
|
| any aromatic C-H |
4992 |
230 |
|
|
| substituted aromatic carbon |
1793 |
76 |
|
|
| phenyl |
592 |
34 |
|
|
* 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 |
737 |
85 |
|
|
| any uncharged NH |
310 |
* |
|
|
| any cationic NH |
77 |
* |
|
|
| aromatic cationic N-H |
17 |
* |
|
|
| amide NH |
96 |
21 |
|
|
| uncharged C(sp2)/C(ar)-NH2 |
56 |
* |
|
|
| cationic RNH3 |
16 |
5 |
|
|
| 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 |
418 |
41 |
|
|
| alcohol OH |
90 |
10 |
|
|
| phenol OH |
44 |
2 |
|
|
| water |
81 |
30 |
|
|
* 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 |
420 |
1 |
|
|
| cyano |
148 |
|
|
|
| pyramidal R3N |
22 |
* |
|
|
| uncharged planar R3N |
62 |
|
|
|
| cationic planar R3N |
|
|
|
|
|
| any terminal O |
4966 |
36 |
|
|
| any C=O |
1412 |
36 |
|
|
| amide C=O |
176 |
23 |
|
|
| ester C=O |
308 |
|
|
|
| carboxylate |
106 |
4 |
|
|
| aliphatic ether |
38 |
|
|
|
| linking O in esters |
154 |
|
|
|
| aromatic O |
34 |
|
|
|
| sulfoxide/sulfone O |
19 |
|
|
|
| nitro |
2496 |
* |
|
|
* 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 |
271 |
21 |
|
|
| any C=S |
69 |
|
|
|
| aliphatic thioether |
20 |
7 |
|
|
| aromatic S |
51 |
|
|
|
* 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 |
177 |
|
|
|
| any C-Br |
70 |
|
|
|
| any C-I |
29 |
|
|
|
| chloride ion |
55 |
|
|
|
| bromide ion |
6 |
|
|
|
| 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 |
2 |
|
|
|
| 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 |
11 |
|
|
| imidazole |
* |
4 |
|
|
| guanidinium |
* |
6 |
|
|
* This search has not been done.
|
|
