3-Fluorobenzoic acid--4-acetylpyridine (1/1) at 100K

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:810.1107/S1600536809002396

3-Fluorobenzoic acid--4-acetylpyridine (1/1) at 100K

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

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Abstract

In the title compound, C$sb 7$H$sb 5$FO$sb 2$$C$sb 7$H$sb 7$NO, a moderate-strength hydrogen bond is formed between the carboxyl group of one molecule and the pyridine N atom of the other. The benzoic acid molecule 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
Article number	o380
Number of pages	8
Journal	Acta Crystallographica Section E
Volume	65
Issue number	2
DOIs	https://doi.org/810.1107/S1600536809002396
Publication status	Published - 1 Feb 2009

Keywords

benzoic acid molecule
3-Fluorobenzoic acid--4-acetylpyridine

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810.1107/S1600536809002396Licence: CC BY 4.0

Craig-etal-ACSE2009-3-Fluorobenzoic-acid-4-acetylpyridine-11-100KFinal published version, 361 KBLicence: CC BY 4.0

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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-Fluorobenzoic acid--4-acetylpyridine (1/1) at 100K. Acta Crystallographica Section E, 65(2), [o380]. https://doi.org/810.1107/S1600536809002396

@article{dea040e7ae9e4a72940646f23b42fc03,

title = "3-Fluorobenzoic acid--4-acetylpyridine (1/1) at 100K",

abstract = "In the title compound, C$sb 7$H$sb 5$FO$sb 2$$C$sb 7$H$sb 7$NO, a moderate-strength hydrogen bond is formed between the carboxyl group of one molecule and the pyridine N atom of the other. The benzoic acid molecule 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.",

keywords = "benzoic acid molecule, 3-Fluorobenzoic acid--4-acetylpyridine",

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",

year = "2009",

month = feb,

day = "1",

doi = "810.1107/S1600536809002396",

language = "English",

volume = "65",

number = "2",

}

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-Fluorobenzoic acid--4-acetylpyridine (1/1) at 100K', Acta Crystallographica Section E, vol. 65, no. 2, o380. https://doi.org/810.1107/S1600536809002396

TY - JOUR

T1 - 3-Fluorobenzoic acid--4-acetylpyridine (1/1) at 100K

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 - 2009/2/1

Y1 - 2009/2/1

N2 - In the title compound, C$sb 7$H$sb 5$FO$sb 2$$C$sb 7$H$sb 7$NO, a moderate-strength hydrogen bond is formed between the carboxyl group of one molecule and the pyridine N atom of the other. The benzoic acid molecule 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, C$sb 7$H$sb 5$FO$sb 2$$C$sb 7$H$sb 7$NO, a moderate-strength hydrogen bond is formed between the carboxyl group of one molecule and the pyridine N atom of the other. The benzoic acid molecule 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.

KW - benzoic acid molecule

KW - 3-Fluorobenzoic acid--4-acetylpyridine

U2 - 810.1107/S1600536809002396

DO - 810.1107/S1600536809002396

M3 - Article

VL - 65

IS - 2

M1 - o380

ER -

3-Fluorobenzoic acid--4-acetylpyridine (1/1) at 100K

Abstract

Keywords

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