CCDC

   IsoStar 2023.3

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




amide, N,N-disubstituted

amide, N,N-disubstituted



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 9993 4517    
any polar X-H (X= N,O or S) 1707 3218  
* 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 1221  
methylene 1367 303  
methyl 1998 261  
any aromatic C-H 2923 720  
substituted aromatic carbon 291 21  
phenyl 692 182  
* 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 665 1030  
any uncharged NH 477 *  
any cationic NH 61 *  
aromatic cationic N-H 1 *  
amide NH 227 361  
uncharged C(sp2)/C(ar)-NH2 41 *  
cationic RNH3 13 106  
cationic R3NH 1 *  
* 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 1039 2170  
alcohol OH 223 85  
phenol OH 71 296  
water 232 1789  
* 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 74 3  
cyano 34    
pyramidal R3N 7 *  
uncharged planar R3N 206    
cationic planar R3N 1    
any terminal O 959 595  
any C=O 1003 595  
amide C=O 150 348  
ester C=O 51    
carboxylate 24 128  
aliphatic ether 17    
linking O in esters 31    
aromatic O 1    
sulfoxide/sulfone O 8    
nitro 87 *  
* 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 82 46  
any C=S 31    
aliphatic thioether 8 19  
aromatic S 14    
* 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 109    
any C-Cl 154    
any C-Br 42    
any C-I 18    
chloride ion 28    
bromide ion 3    
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 2    
potassium ion 4    
rubidium ion 1    
cesuim 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

Amino acid
 Links to statistical data  Links to theoretical energy data
Contact Group CSD PDB Stats Theory
CONH2 46 184  
imidazole * 142    
guanidinium * 195    
* 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