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aliphatic-aliphatic ester aliphatic-aromatic ester aromatic-aliphatic ester aromatic-aromatic ester

aliphatic-aliphatic ester



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 3100    
any polar X-H (X= N,O or S) 4997 916  
* 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 4977 1148  
methylene 1998 318  
methyl 1998 384  
any aromatic C-H 4997 730  
substituted aromatic carbon 1560 136  
phenyl 1424 269  
* 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 4900 375  
any uncharged NH 3478 *  
any cationic NH 273 *  
aromatic cationic N-H 17 *  
amide NH 1433 105
uncharged C(sp2)/C(ar)-NH2 174 *  
cationic RNH3 88 7
cationic R3NH 7 *  
* 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 4953 531  
alcohol OH 3154 67
phenol OH 638 58  
water 791 406
* 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 1072 3  
cyano 797    
pyramidal R3N 60 *  
uncharged planar R3N 558 1  
cationic planar R3N 19    
any terminal O 4954 233  
any C=O 4969 233
amide C=O 1018 128
ester C=O 1992    
carboxylate 96 36
aliphatic ether 291    
linking O in esters 1971    
aromatic O 155    
sulfoxide/sulfone O 211    
nitro 1433 *  
* 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 1567 72  
any C=S 222    
aliphatic thioether 249 55  
aromatic S 199    
* 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 1770    
any C-Cl 2732    
any C-Br 1478    
any C-I 221    
chloride ion 274    
bromide ion 86    
iodide ion 27    
* 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 17    
potassium ion 20    
rubidium ion        
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 108 63  
imidazole * 59  
guanidinium * 77    
* This search has not been done.



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