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aromatic ethyne-1,2-diyl aliphatic ethyne-1,2-diyl

aromatic ethyne-1,2-diyl



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 9917 450    
any polar X-H (X= N,O or S) 835 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

C,H only
 Links to statistical data  Links to theoretical energy data
Contact Group CSD PDB Stats Theory
any alkyl C-H 4996 197  
methylene 1976 40  
methyl 1992 80  
any aromatic C-H 4996 113  
substituted aromatic carbon   1    
phenyl 1427 42  
* 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 267 29  
any uncharged NH 161 *  
any cationic NH 24 *  
aromatic cationic N-H 15 *  
amide NH 46 17  
uncharged C(sp2)/C(ar)-NH2 23 *  
cationic RNH3 5 2  
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 568 57  
alcohol OH 232 10  
phenol OH 70 1  
water 115 46  
* 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 392    
cyano 151    
pyramidal R3N 2 *  
uncharged planar R3N 138 3  
cationic planar R3N 27    
any terminal O 915 71  
any C=O 743 71  
amide C=O 65 56  
ester C=O 166    
carboxylate 9 1  
aliphatic ether 25    
linking O in esters 98    
aromatic O 35    
sulfoxide/sulfone O 34    
nitro 154 *  
* 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 342 14  
any C=S 16    
aliphatic thioether 5 12  
aromatic S 157    
* 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 782    
any C-Cl 417    
any C-Br 166    
any C-I 132    
chloride ion 33    
bromide ion 13    
iodide ion 5    
* 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        
potassium ion        
rubidium ion        
cesuim ion        
* 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 2 8  
imidazole * 1    
guanidinium * 3    
* This search has not been done.




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