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aliphatic-aliphatic amine, pyramidal	aliphatic-aromatic amine; planar	aliphatic-aromatic amine; pyramidal	aromatic-aromatic amine; planar	aromatic-aromatic amine; pyramidal	charged aliphatic-aliphatic amine

aliphatic-aromatic amine; planar

(PDB scatterplots for planar and pyramidal aliphatic-aromatic amine groups are identical, because the groups are indistinguishable in protein crystal structures; More Information)

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			9993	1126
any polar X-H (X= N,O or S)			1434	494

* 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			4573	262
methylene			539	91
methyl			949	114
any aromatic C-H			3662	114
substituted aromatic carbon			528	22
phenyl			590	43

* 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			747	82
any uncharged NH			600	*
any cationic NH			42	*
aromatic cationic N-H			35	*
amide NH			14	11
uncharged C(sp²)/C(ar)-NH2			28	*
cationic RNH3			2	14
cationic R3NH				*

* 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			687	409
alcohol OH			254	50
phenol OH			56	5
water			177	354

* 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			864	2
cyano			140
pyramidal R3N			9	*
uncharged planar R3N			19
cationic planar R3N
any terminal O			1983	336
any C=O			973	336
amide C=O			55	137
ester C=O			209
carboxylate			57	116
aliphatic ether			60
linking O in esters			37
aromatic O			21
sulfoxide/sulfone O			51
nitro			460	*

* 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			208	20
any C=S			17
aliphatic thioether			4	17
aromatic S			16

* 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			149
any C-Cl			231
any C-Br			77
any C-I			12
chloride ion			122
bromide ion			5
iodide ion			11

* 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			3
potassium ion			4
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			18	60
imidazole			*	36
guanidinium			*	11

* This search has not been done.

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