Nicotinamide-2,2,2-trifluoroethanol (2/1)

J. Bardin; A.R. Kennedy; L.V. Wong; B.F. Johnston; A.J. Florence

doi:10.1107/S1600536809007594

Nicotinamide-2,2,2-trifluoroethanol (2/1)

J. Bardin, A.R. Kennedy, L.V. Wong, B.F. Johnston, A.J. Florence

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

2 Citations (Scopus)

Abstract

The nicotinamide (NA) molecules of the title compound, 2C6H6N2O·C2H3F3O, form centrosymmetric R22(8) hydrogen-bonded dimers via N-HO contacts. The asymmetric unit contains two molecules of NA and one trifluoroethanol molecule disordered over two sites of equal occupancy. The packing consists of alternating layers of nicotinamide dimers and disordered 2,2,2-trifluoroethanol molecules stacking in the c-axis direction. Intramolecular C-HO and intermolecular N-HN, O-HN, C-HN, C-HO and C-HF interactions are present.

Original language	English
Pages (from-to)	o727-o728
Journal	Acta Crystallographica Section E: Structure Reports
Volume	65
Issue number	4
DOIs	https://doi.org/10.1107/S1600536809007594
Publication status	Published - Apr 2009

Keywords

crystallography
nicotinamide dimers
pharmacology
trifluoroethanol molecules

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10.1107/S1600536809007594

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@article{7ddeaa225b3148068854a84f6197bb7e,

title = "Nicotinamide-2,2,2-trifluoroethanol (2/1)",

abstract = "The nicotinamide (NA) molecules of the title compound, 2C6H6N2O·C2H3F3O, form centrosymmetric R22(8) hydrogen-bonded dimers via N-HO contacts. The asymmetric unit contains two molecules of NA and one trifluoroethanol molecule disordered over two sites of equal occupancy. The packing consists of alternating layers of nicotinamide dimers and disordered 2,2,2-trifluoroethanol molecules stacking in the c-axis direction. Intramolecular C-HO and intermolecular N-HN, O-HN, C-HN, C-HO and C-HF interactions are present.",

keywords = "crystallography, nicotinamide dimers, pharmacology, trifluoroethanol molecules",

author = "J. Bardin and A.R. Kennedy and L.V. Wong and B.F. Johnston and A.J. Florence",

year = "2009",

month = apr,

doi = "10.1107/S1600536809007594",

language = "English",

volume = "65",

pages = "o727--o728",

journal = "Acta Crystallographica Section E: Structure Reports",

issn = "1600-5368",

number = "4",

}

TY - JOUR

T1 - Nicotinamide-2,2,2-trifluoroethanol (2/1)

AU - Bardin, J.

AU - Kennedy, A.R.

AU - Wong, L.V.

AU - Johnston, B.F.

AU - Florence, A.J.

PY - 2009/4

Y1 - 2009/4

N2 - The nicotinamide (NA) molecules of the title compound, 2C6H6N2O·C2H3F3O, form centrosymmetric R22(8) hydrogen-bonded dimers via N-HO contacts. The asymmetric unit contains two molecules of NA and one trifluoroethanol molecule disordered over two sites of equal occupancy. The packing consists of alternating layers of nicotinamide dimers and disordered 2,2,2-trifluoroethanol molecules stacking in the c-axis direction. Intramolecular C-HO and intermolecular N-HN, O-HN, C-HN, C-HO and C-HF interactions are present.

AB - The nicotinamide (NA) molecules of the title compound, 2C6H6N2O·C2H3F3O, form centrosymmetric R22(8) hydrogen-bonded dimers via N-HO contacts. The asymmetric unit contains two molecules of NA and one trifluoroethanol molecule disordered over two sites of equal occupancy. The packing consists of alternating layers of nicotinamide dimers and disordered 2,2,2-trifluoroethanol molecules stacking in the c-axis direction. Intramolecular C-HO and intermolecular N-HN, O-HN, C-HN, C-HO and C-HF interactions are present.

KW - crystallography

KW - nicotinamide dimers

KW - pharmacology

KW - trifluoroethanol molecules

UR - http://dx.doi.org/10.1107/S1600536809007594

U2 - 10.1107/S1600536809007594

DO - 10.1107/S1600536809007594

M3 - Article

SN - 1600-5368

VL - 65

SP - o727-o728

JO - Acta Crystallographica Section E: Structure Reports

JF - Acta Crystallographica Section E: Structure Reports

IS - 4

ER -

Nicotinamide-2,2,2-trifluoroethanol (2/1)

Abstract

Keywords

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Physical Organic Chemistry: Opportunities In Synthesis, Materials And Pharmaceuticals (Science And Innovation Award)

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Nicotinamide-2,2,2-trifluoroethanol (2/1)

Abstract

Keywords

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Projects

Physical Organic Chemistry: Opportunities In Synthesis, Materials And Pharmaceuticals (Science And Innovation Award)

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x-ray diffractometer

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