3-Fluoro-benzoic acid-4-acetyl-pyridine (1/1) at 100 K

Gavin A. Craig; Lynne H. Thomas; Martin S. Adam; Angela Ballantyne; Andrew Cairns; Stephen C. Cairns; Gary Copeland; Clifford Harris; Eve McCalmont; Robert McTaggart; Alan R. G. Martin; Sarah Palmer; Jenna Quail; Harriet Saxby; Duncan J. Sneddon; Graeme Stewart; Neil Thomson; Alex Whyte; Chick C. Wilson; Andrew Parkin

doi:10.1107/S1600536809002396

3-Fluoro-benzoic acid-4-acetyl-pyridine (1/1) at 100 K

Gavin A. Craig, Lynne H. Thomas (Lead / Corresponding author), Martin S. Adam, Angela Ballantyne, Andrew Cairns, Stephen C. Cairns, Gary Copeland, Clifford Harris, Eve McCalmont, Robert McTaggart, Alan R. G. Martin, Sarah Palmer, Jenna Quail, Harriet Saxby, Duncan J. Sneddon, Graeme Stewart, Neil Thomson, Alex Whyte, Chick C. Wilson, Andrew Parkin

Drug Discovery Unit

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4 Citations (Scopus)

Abstract

In the title compound, C7H5FO2·C7H7NO, a moderate-strength hydrogen bond is formed between the carboxyl group of one mol-ecule and the pyridine N atom of the other. The benzoic acid mol-ecule is observed to be disordered over two positions with the second orientation only 4% occupied. This disorder is also reflected in the presence of diffuse scattering in the diffraction pattern.

Original language	English
Pages (from-to)	o380
Number of pages	1
Journal	Acta Crystallographica Section E: Structure Reports Online
Volume	65
Issue number	2
Early online date	23 Jan 2009
DOIs	https://doi.org/10.1107/S1600536809002396
Publication status	Published - 23 Feb 2009

ASJC Scopus subject areas

General Chemistry
General Materials Science
Condensed Matter Physics

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Craig, G. A., Thomas, L. H., Adam, M. S., Ballantyne, A., Cairns, A., Cairns, S. C., Copeland, G., Harris, C., McCalmont, E., McTaggart, R., Martin, A. R. G., Palmer, S., Quail, J., Saxby, H., Sneddon, D. J., Stewart, G., Thomson, N., Whyte, A., Wilson, C. C., & Parkin, A. (2009). 3-Fluoro-benzoic acid-4-acetyl-pyridine (1/1) at 100 K. Acta Crystallographica Section E: Structure Reports Online, 65(2), o380. https://doi.org/10.1107/S1600536809002396

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title = "3-Fluoro-benzoic acid-4-acetyl-pyridine (1/1) at 100 K",

abstract = "In the title compound, C7H5FO2·C7H7NO, a moderate-strength hydrogen bond is formed between the carboxyl group of one mol-ecule and the pyridine N atom of the other. The benzoic acid mol-ecule is observed to be disordered over two positions with the second orientation only 4% occupied. This disorder is also reflected in the presence of diffuse scattering in the diffraction pattern.",

author = "Craig, {Gavin A.} and Thomas, {Lynne H.} and Adam, {Martin S.} and Angela Ballantyne and Andrew Cairns and Cairns, {Stephen C.} and Gary Copeland and Clifford Harris and Eve McCalmont and Robert McTaggart and Martin, {Alan R. G.} and Sarah Palmer and Jenna Quail and Harriet Saxby and Sneddon, {Duncan J.} and Graeme Stewart and Neil Thomson and Alex Whyte and Wilson, {Chick C.} and Andrew Parkin",

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day = "23",

doi = "10.1107/S1600536809002396",

language = "English",

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Craig, GA, Thomas, LH, Adam, MS, Ballantyne, A, Cairns, A, Cairns, SC, Copeland, G, Harris, C, McCalmont, E, McTaggart, R, Martin, ARG, Palmer, S, Quail, J, Saxby, H, Sneddon, DJ, Stewart, G, Thomson, N, Whyte, A, Wilson, CC & Parkin, A 2009, '3-Fluoro-benzoic acid-4-acetyl-pyridine (1/1) at 100 K', Acta Crystallographica Section E: Structure Reports Online, vol. 65, no. 2, pp. o380. https://doi.org/10.1107/S1600536809002396

TY - JOUR

T1 - 3-Fluoro-benzoic acid-4-acetyl-pyridine (1/1) at 100 K

AU - Craig, Gavin A.

AU - Thomas, Lynne H.

AU - Adam, Martin S.

AU - Ballantyne, Angela

AU - Cairns, Andrew

AU - Cairns, Stephen C.

AU - Copeland, Gary

AU - Harris, Clifford

AU - McCalmont, Eve

AU - McTaggart, Robert

AU - Martin, Alan R. G.

AU - Palmer, Sarah

AU - Quail, Jenna

AU - Saxby, Harriet

AU - Sneddon, Duncan J.

AU - Stewart, Graeme

AU - Thomson, Neil

AU - Whyte, Alex

AU - Wilson, Chick C.

AU - Parkin, Andrew

PY - 2009/2/23

Y1 - 2009/2/23

N2 - In the title compound, C7H5FO2·C7H7NO, a moderate-strength hydrogen bond is formed between the carboxyl group of one mol-ecule and the pyridine N atom of the other. The benzoic acid mol-ecule is observed to be disordered over two positions with the second orientation only 4% occupied. This disorder is also reflected in the presence of diffuse scattering in the diffraction pattern.

AB - In the title compound, C7H5FO2·C7H7NO, a moderate-strength hydrogen bond is formed between the carboxyl group of one mol-ecule and the pyridine N atom of the other. The benzoic acid mol-ecule is observed to be disordered over two positions with the second orientation only 4% occupied. This disorder is also reflected in the presence of diffuse scattering in the diffraction pattern.

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U2 - 10.1107/S1600536809002396

DO - 10.1107/S1600536809002396

M3 - Article

AN - SCOPUS:60349112210

SN - 1600-5368

VL - 65

SP - o380

JO - Acta Crystallographica Section E: Structure Reports Online

JF - Acta Crystallographica Section E: Structure Reports Online

IS - 2

ER -

3-Fluoro-benzoic acid-4-acetyl-pyridine (1/1) at 100 K

Abstract

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