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https://doi.org/10.5562/cca3347

Aggregation in Three Benzamide or Pyridylcarboxamide Hydrates: Formation of 1D Chains Comprising Water Molecules in a Chloro(pyridyl)benzamide Dihydrate

Pavle Mocilac ; School of Chemical Sciences, Dublin City University, Dublin 9, Ireland
John F. Gallagher   ORCID icon orcid.org/0000-0003-4130-4556 ; School of Chemical Sciences, Dublin City University, Dublin 9, Ireland
Christian Jelsch ; CRM2, CNRS, Faculté des Sciences et Technologies, Université de Lorraine, BP 70239, Boulevard des Aiguillettes, 54506 Vandoeuvre-dès-Nancy, France

Puni tekst: engleski, pdf (5 MB) str. 281-288 preuzimanja: 240* citiraj
APA 6th Edition
Mocilac, P., Gallagher, J.F. i Jelsch, C. (2018). Aggregation in Three Benzamide or Pyridylcarboxamide Hydrates: Formation of 1D Chains Comprising Water Molecules in a Chloro(pyridyl)benzamide Dihydrate. Croatica Chemica Acta, 91 (2), 281-288. https://doi.org/10.5562/cca3347
MLA 8th Edition
Mocilac, Pavle, et al. "Aggregation in Three Benzamide or Pyridylcarboxamide Hydrates: Formation of 1D Chains Comprising Water Molecules in a Chloro(pyridyl)benzamide Dihydrate." Croatica Chemica Acta, vol. 91, br. 2, 2018, str. 281-288. https://doi.org/10.5562/cca3347. Citirano 07.03.2021.
Chicago 17th Edition
Mocilac, Pavle, John F. Gallagher i Christian Jelsch. "Aggregation in Three Benzamide or Pyridylcarboxamide Hydrates: Formation of 1D Chains Comprising Water Molecules in a Chloro(pyridyl)benzamide Dihydrate." Croatica Chemica Acta 91, br. 2 (2018): 281-288. https://doi.org/10.5562/cca3347
Harvard
Mocilac, P., Gallagher, J.F., i Jelsch, C. (2018). 'Aggregation in Three Benzamide or Pyridylcarboxamide Hydrates: Formation of 1D Chains Comprising Water Molecules in a Chloro(pyridyl)benzamide Dihydrate', Croatica Chemica Acta, 91(2), str. 281-288. https://doi.org/10.5562/cca3347
Vancouver
Mocilac P, Gallagher JF, Jelsch C. Aggregation in Three Benzamide or Pyridylcarboxamide Hydrates: Formation of 1D Chains Comprising Water Molecules in a Chloro(pyridyl)benzamide Dihydrate. Croatica Chemica Acta [Internet]. 2018 [pristupljeno 07.03.2021.];91(2):281-288. https://doi.org/10.5562/cca3347
IEEE
P. Mocilac, J.F. Gallagher i C. Jelsch, "Aggregation in Three Benzamide or Pyridylcarboxamide Hydrates: Formation of 1D Chains Comprising Water Molecules in a Chloro(pyridyl)benzamide Dihydrate", Croatica Chemica Acta, vol.91, br. 2, str. 281-288, 2018. [Online]. https://doi.org/10.5562/cca3347

Sažetak
Three benzamide hydrated derivatives as para-methyl-N-(3-pyridyl)benzamide monohydrate (I) or Mpm ∙ H2O; N-(3-fluorophenyl)-4-pyridylcarboxamide monohydrate (II) or NpmF ∙ H2O and para-chloro-N-(3-pyridyl)benzamide dihydrate (III) or Clpm ∙ 2H2O are obtained from a series of crystallization experiments using a range of solvents to obtain polymorphs and solvates (hydrates). Most of the crystallization experiment attempts did not provide hydrates and yielded the starting parent crystalline materials. However, from the experiments, two benzamides, Mpm as a monohydrate and Clpm as a dihydrate were isolated and together with a carboxamide monohydrate as NpmF ∙ H2O are reported herein. The water molecules play a key role in crystal structure formation using classical hydrogen bonding via amide N–H···OH2, O–H···Npyridine and O–H···O=C interactions. They compensate for the excess of strong hydrogen bonding acceptors over donors in the benzamide/pyridinecarboxamide molecules, by participating as O-H hydrogen bond donors twice and usually as an O acceptor once. In the Clpm dihydrate, both water molecules form hydrogen bonded chains along the a-axis direction. The lack of hydrate formation in the majority of related benzamides is presumably related to the relative hydrophobicity of these compounds.

Creative Commons License This work is licensed under a Creative Commons Attribution 4.0 International License.

Ključne riječi
benzamide; carboxamide; contact enrichment; hydrate; hydrogen bonding; interactions; structural systematics

Hrčak ID: 204157

URI
https://hrcak.srce.hr/204157

Posjeta: 380 *