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water

water

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			9965	*
any polar X-H (X= N,O or S)			4945	*

* 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			4949	*
methylene			1999	*
methyl			1999	*
any aromatic C-H			4981	*
substituted aromatic carbon			2499	*
phenyl			1424	*

* 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			4993	*
any uncharged NH			4956	*
any cationic NH			4998	*
aromatic cationic N-H			2461	*
amide NH			1661	*
uncharged C(sp²)/C(ar)-NH2			2468	*
cationic RNH3			1993	*
cationic R3NH			1032	*

* 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			4998	*
alcohol OH			3299	*
phenol OH			3330	*
water			3266	*

* 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			3263	*
cyano			1648	*
pyramidal R3N			1407	*
uncharged planar R3N			2475	*
cationic planar R3N			604	*
any terminal O			4990	*
any C=O			4982	*
amide C=O			1647	*
ester C=O			1996	*
carboxylate			2451	*
aliphatic ether			2303	*
linking O in esters			812	*
aromatic O			545	*
sulfoxide/sulfone O			619	*
nitro			2463	*

* 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			9996	*
any C=S			1376	*
aliphatic thioether			123	*
aromatic S			973	*

* 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			2831	*
any C-Cl			2168	*
any C-Br			761	*
any C-I			262	*
chloride ion			9993	*
bromide ion			2704	*
iodide ion			834	*

* 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			243	*
sodium ion			3234	*
potassium ion			2406	*
rubidium ion			259	*
cesuim ion			501	*

* 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			1641	*
imidazole			*	*
guanidinium			*	*

* This search has not been done.

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