CCDC

   IsoStar 2023.3

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




trifluoromethyl

trifluoromethyl



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 9994 5048    
any polar X-H (X= N,O or S) 4997 1042  
* 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 4963 2425  
methylene 1998 520  
methyl 1998 1010  
any aromatic C-H 4979 665  
substituted aromatic carbon 2496 44  
phenyl 1427 246  
* 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 4945 483  
any uncharged NH 2415 *  
any cationic NH 1507 *  
aromatic cationic N-H 411 *  
amide NH 559 264  
uncharged C(sp2)/C(ar)-NH2 357 *  
cationic RNH3 218 19  
cationic R3NH 41 *  
* 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 4942 522  
alcohol OH 1104 97  
phenol OH 234 46  
water 1006 379  
* 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 2850 31  
cyano 1332    
pyramidal R3N 81 *  
uncharged planar R3N 1196 2  
cationic planar R3N 176    
any terminal O 4997 623  
any C=O 4992 623  
amide C=O 921 441  
ester C=O 1352    
carboxylate 768 53  
aliphatic ether 504    
linking O in esters 874    
aromatic O 257    
sulfoxide/sulfone O 293    
nitro 955 *  
* 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 4953 138  
any C=S 239    
aliphatic thioether 120 98  
aromatic S 1206    
* 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 4961    
any C-Cl 4997    
any C-Br 1292    
any C-I 352    
chloride ion 113    
bromide ion 21    
iodide ion 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

Alkali Metal
 Links to statistical data  Links to theoretical energy data
Contact Group CSD PDB Stats Theory
lithium ion 18    
sodium ion 64    
potassium ion 227    
rubidium ion 8    
cesuim ion 256    
* 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 132 68  
imidazole * 170    
guanidinium * 54    
* 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