A 1 : 2 co-crystal of isonicotinamide and propionic acid

I D H Oswald, W D S Motherwell, S Parsons

Research output: Contribution to journalArticle

4 Citations (Scopus)

Abstract

Isonicotinamide has been shown to form many 1: 1 co-crystals with monofunctional carboxylic acids, but with propionic acid it forms a co-crystal containing two acid molecules and one isonicotinamide molecule per formula unit, C6H6N2O.-2C(3)H(6)O(2). The crystal structure consists of 'supermolecules' made up of of one isonicotinamide molecule and two acid molecules, and the asymmetric unit contains two of these supermolecules. One of the acid molecules is hydrogen bonded to the pyridine function, and the other to the amide function of the isonicotinamide. Further N - H ... O hydrogen bonds connect these supermolecules into chains which run along the [ 100] direction. The chains are linked into layers perpendicular to ( 010) by C - H ... O and pi-stacking interactions. The layers are then linked together by further C H ... O interactions.

LanguageEnglish
PagesO2380-O2383
Number of pages4
JournalActa Crystallographica Section E: Structure Reports
Volume60
DOIs
Publication statusPublished - Dec 2004

Fingerprint

propionic acid
Propionic acid
Crystals
acids
Molecules
crystals
molecules
Acids
Carboxylic Acids
Carboxylic acids
Amides
carboxylic acids
Pyridine
amides
Hydrogen
pyridines
Hydrogen bonds
Crystal structure
isonicotinamide
interactions

Keywords

  • isonicotinamid
  • carboxylic acids
  • supermolecules

Cite this

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abstract = "Isonicotinamide has been shown to form many 1: 1 co-crystals with monofunctional carboxylic acids, but with propionic acid it forms a co-crystal containing two acid molecules and one isonicotinamide molecule per formula unit, C6H6N2O.-2C(3)H(6)O(2). The crystal structure consists of 'supermolecules' made up of of one isonicotinamide molecule and two acid molecules, and the asymmetric unit contains two of these supermolecules. One of the acid molecules is hydrogen bonded to the pyridine function, and the other to the amide function of the isonicotinamide. Further N - H ... O hydrogen bonds connect these supermolecules into chains which run along the [ 100] direction. The chains are linked into layers perpendicular to ( 010) by C - H ... O and pi-stacking interactions. The layers are then linked together by further C H ... O interactions.",
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A 1 : 2 co-crystal of isonicotinamide and propionic acid. / Oswald, I D H ; Motherwell, W D S ; Parsons, S .

In: Acta Crystallographica Section E: Structure Reports, Vol. 60, 12.2004, p. O2380-O2383.

Research output: Contribution to journalArticle

TY - JOUR

T1 - A 1 : 2 co-crystal of isonicotinamide and propionic acid

AU - Oswald, I D H

AU - Motherwell, W D S

AU - Parsons, S

PY - 2004/12

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N2 - Isonicotinamide has been shown to form many 1: 1 co-crystals with monofunctional carboxylic acids, but with propionic acid it forms a co-crystal containing two acid molecules and one isonicotinamide molecule per formula unit, C6H6N2O.-2C(3)H(6)O(2). The crystal structure consists of 'supermolecules' made up of of one isonicotinamide molecule and two acid molecules, and the asymmetric unit contains two of these supermolecules. One of the acid molecules is hydrogen bonded to the pyridine function, and the other to the amide function of the isonicotinamide. Further N - H ... O hydrogen bonds connect these supermolecules into chains which run along the [ 100] direction. The chains are linked into layers perpendicular to ( 010) by C - H ... O and pi-stacking interactions. The layers are then linked together by further C H ... O interactions.

AB - Isonicotinamide has been shown to form many 1: 1 co-crystals with monofunctional carboxylic acids, but with propionic acid it forms a co-crystal containing two acid molecules and one isonicotinamide molecule per formula unit, C6H6N2O.-2C(3)H(6)O(2). The crystal structure consists of 'supermolecules' made up of of one isonicotinamide molecule and two acid molecules, and the asymmetric unit contains two of these supermolecules. One of the acid molecules is hydrogen bonded to the pyridine function, and the other to the amide function of the isonicotinamide. Further N - H ... O hydrogen bonds connect these supermolecules into chains which run along the [ 100] direction. The chains are linked into layers perpendicular to ( 010) by C - H ... O and pi-stacking interactions. The layers are then linked together by further C H ... O interactions.

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KW - carboxylic acids

KW - supermolecules

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SP - O2380-O2383

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SN - 1600-5368

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