CCDC

   IsoStar 2023.3

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




aliphatic methoxy aromatic methoxy

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.




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