CCDC

   IsoStar 2023.3

  Home Ligand Terminal Ligand Acyclic Links Ligand Ring Systems Ligand Solvates Protein Plots Custom Plots Help




azido

azido



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 9995 194    
any polar X-H (X= N,O or S) 995 78  
* 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 4997 59  
methylene 1122 24  
methyl 1979 15  
any aromatic C-H 4031 38  
substituted aromatic carbon 400 7  
phenyl 975 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

N-H
 Links to statistical data  Links to theoretical energy data
Contact Group CSD PDB Stats Theory
any NH 485 34  
any uncharged NH 117 *  
any cationic NH 120 *  
aromatic cationic N-H 6 *  
amide NH 48 5  
uncharged C(sp2)/C(ar)-NH2 12 *  
cationic RNH3 6 3  
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 510 43  
alcohol OH 188 3  
phenol OH 23 5  
water 134 36  
* 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 2063 1  
cyano 86    
pyramidal R3N 2 *  
uncharged planar R3N 52    
cationic planar R3N 1    
any terminal O 1524 18  
any C=O 894 18  
amide C=O 91 8  
ester C=O 337    
carboxylate 15 8  
aliphatic ether 35    
linking O in esters 136    
aromatic O 53    
sulfoxide/sulfone O 31    
nitro 473 *  
* 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 105 4  
any C=S 25    
aliphatic thioether 12 3  
aromatic S 13    
* 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 210    
any C-Cl 150    
any C-Br 110    
any C-I 19    
chloride ion 16    
bromide ion 6    
iodide ion 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

Alkali Metal
 Links to statistical data  Links to theoretical energy data
Contact Group CSD PDB Stats Theory
lithium ion        
sodium ion 19    
potassium ion 23    
rubidium ion 5    
cesuim ion 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

Amino acid
 Links to statistical data  Links to theoretical energy data
Contact Group CSD PDB Stats Theory
CONH2 10 12  
imidazole * 6    
guanidinium * 5    
* This search has not been done.




Copyright © 2023 The Cambridge Crystallographic Data Centre
12 Union Road, Cambridge, CB2 1EZ, UK, +44 1223 336408
Registered in England No.2155347 Registered Charity No.800579