6-Amino-nicotinamide

Lerato P. Ntsala; Andreas Lemmerer

doi:10.1107/S1600536812031224

6-Amino-nicotinamide

Lerato P. Ntsala, Andreas Lemmerer

Research output: Contribution to journal › Article › peer-review

1 Scopus citations

Abstract

In the title compound, C6H7N3O, the amide group is rotated such that the carbonyl O atom is syn to the pyridine N atom, with an O-C-C-C torsion angle of-23.55 (18)°. The crystal packing involves four hydrogen bonds of the types N-H⋯N and N-H⋯O. Two separate centrosymmetric rings are formed using N-H⋯N and N-H⋯O hydrogen bonds that result in a ribbon of 6-aminonicotinamide molecules, joined by the amide and amine functional groups. The remaining two hydrogen bonds are used to generate a three-dimensional packing arrangement.

Original language	English
Pages (from-to)	o2449
Journal	Acta Crystallographica Section E: Structure Reports Online
Volume	68
Issue number	8
DOIs	https://doi.org/10.1107/S1600536812031224
State	Published - 1 Aug 2012
Externally published	Yes

Keywords

data-to-parameter ratio = 14.8
mean σ(C-C) = 0.002 Å
R factor = 0.040
single-crystal X-ray study
T = 173 K
wR factor = 0.113

ASJC Scopus subject areas

General Chemistry
General Materials Science
Condensed Matter Physics

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10.1107/S1600536812031224

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title = "6-Amino-nicotinamide",

abstract = "In the title compound, C6H7N3O, the amide group is rotated such that the carbonyl O atom is syn to the pyridine N atom, with an O-C-C-C torsion angle of-23.55 (18)°. The crystal packing involves four hydrogen bonds of the types N-H⋯N and N-H⋯O. Two separate centrosymmetric rings are formed using N-H⋯N and N-H⋯O hydrogen bonds that result in a ribbon of 6-aminonicotinamide molecules, joined by the amide and amine functional groups. The remaining two hydrogen bonds are used to generate a three-dimensional packing arrangement.",

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language = "English",

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T1 - 6-Amino-nicotinamide

AU - Ntsala, Lerato P.

AU - Lemmerer, Andreas

PY - 2012/8/1

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N2 - In the title compound, C6H7N3O, the amide group is rotated such that the carbonyl O atom is syn to the pyridine N atom, with an O-C-C-C torsion angle of-23.55 (18)°. The crystal packing involves four hydrogen bonds of the types N-H⋯N and N-H⋯O. Two separate centrosymmetric rings are formed using N-H⋯N and N-H⋯O hydrogen bonds that result in a ribbon of 6-aminonicotinamide molecules, joined by the amide and amine functional groups. The remaining two hydrogen bonds are used to generate a three-dimensional packing arrangement.

AB - In the title compound, C6H7N3O, the amide group is rotated such that the carbonyl O atom is syn to the pyridine N atom, with an O-C-C-C torsion angle of-23.55 (18)°. The crystal packing involves four hydrogen bonds of the types N-H⋯N and N-H⋯O. Two separate centrosymmetric rings are formed using N-H⋯N and N-H⋯O hydrogen bonds that result in a ribbon of 6-aminonicotinamide molecules, joined by the amide and amine functional groups. The remaining two hydrogen bonds are used to generate a three-dimensional packing arrangement.

KW - data-to-parameter ratio = 14.8

KW - mean σ(C-C) = 0.002 Å

KW - R factor = 0.040

KW - single-crystal X-ray study

KW - T = 173 K

KW - wR factor = 0.113

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IS - 8

ER -

6-Amino-nicotinamide

Abstract

Keywords

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