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acetonitrile

acetonitrile



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 9870 *    
any polar X-H (X= N,O or S) 4996 *  
* 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 4955 *  
methylene 1977 *  
methyl 1998 *  
any aromatic C-H 4967 *  
substituted aromatic carbon 2489 *  
phenyl 1419 *  
* 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 4851 *  
any uncharged NH 2123 *  
any cationic NH 446 *  
aromatic cationic N-H 125 *  
amide NH 384 *  
uncharged C(sp2)/C(ar)-NH2 224 *  
cationic RNH3 65 *  
cationic R3NH 37 *  
* 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 4973 *  
alcohol OH 741 *  
phenol OH 1045 *  
water 1052 *  
* 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 2989 *  
cyano 3296 *  
pyramidal R3N 95 *  
uncharged planar R3N 1364 *  
cationic planar R3N 356 *  
any terminal O 4996 *  
any C=O 4996 *  
amide C=O 631 *  
ester C=O 806 *  
carboxylate 136 *  
aliphatic ether 970 *  
linking O in esters 349 *  
aromatic O 125 *  
sulfoxide/sulfone O 106 *  
nitro 1122 *  
* 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 5161 *  
any C=S 721 *  
aliphatic thioether 47 *  
aromatic S 365 *  
* 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 4986 *  
any C-Cl 1556 *  
any C-Br 635 *  
any C-I 146 *  
chloride ion 496 *  
bromide ion 224 *  
iodide ion 429 *  
* 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 33 *  
potassium ion 72 *  
rubidium ion   *    
cesuim ion 10 *  
* 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 184 *  
imidazole * *    
guanidinium * *    
* This search has not been done.




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