Polymorphism, Intermolecular Interactions, and Spectroscopic Properties in Crystal Structures of Sulfonamides

C. Ignacio Sainz-Díaz, Misaela Francisco-Márquez, Catalina Soriano-Correa

Resultado de la investigación: Contribución a una revistaArtículo

6 Citas (Scopus)

Resumen

© 2018 American Pharmacists Association® The antibiotics family of sulfonamides has been used worldwide intensively in human therapeutics and farm livestock during decades. Intermolecular interactions of these sulfamides are important to understand their bioactivity and biodegradation. These interactions are also responsible for their supramolecular structures. The intermolecular interactions in the crystal polymorphs of the sulfonamides, sulfamethoxypyridazine, and sulfamethoxydiazine, as models of sulfonamides, have been studied by using quantum mechanical calculations. Different conformations in the sulphonamide molecules have been detected in the crystal polymorphs. Several intermolecular patterns have been studied to understand the molecular packing behavior in these antibiotics. Strong intermolecular hydrogen bonds and π-π interactions are the main driving forces for crystal packing in these sulfonamides. Different stability between polymorphs can explain the experimental behavior of these crystal forms. The calculated infrared spectroscopy frequencies explain the main intermolecular interactions in these crystals.
Idioma originalInglés estadounidense
Páginas (desde-hasta)273-285
Número de páginas244
PublicaciónJournal of Pharmaceutical Sciences
DOI
EstadoPublicada - 1 ene 2018

Huella dactilar

Sulfonamides
Sulfameter
Sulfamethoxypyridazine
Anti-Bacterial Agents
Livestock
Hydrogen
Spectrum Analysis

Citar esto

@article{d764f7fccb454432887810425046948a,
title = "Polymorphism, Intermolecular Interactions, and Spectroscopic Properties in Crystal Structures of Sulfonamides",
abstract = "{\circledC} 2018 American Pharmacists Association{\circledR} The antibiotics family of sulfonamides has been used worldwide intensively in human therapeutics and farm livestock during decades. Intermolecular interactions of these sulfamides are important to understand their bioactivity and biodegradation. These interactions are also responsible for their supramolecular structures. The intermolecular interactions in the crystal polymorphs of the sulfonamides, sulfamethoxypyridazine, and sulfamethoxydiazine, as models of sulfonamides, have been studied by using quantum mechanical calculations. Different conformations in the sulphonamide molecules have been detected in the crystal polymorphs. Several intermolecular patterns have been studied to understand the molecular packing behavior in these antibiotics. Strong intermolecular hydrogen bonds and π-π interactions are the main driving forces for crystal packing in these sulfonamides. Different stability between polymorphs can explain the experimental behavior of these crystal forms. The calculated infrared spectroscopy frequencies explain the main intermolecular interactions in these crystals.",
author = "Sainz-D{\'i}az, {C. Ignacio} and Misaela Francisco-M{\'a}rquez and Catalina Soriano-Correa",
year = "2018",
month = "1",
day = "1",
doi = "10.1016/j.xphs.2017.10.015",
language = "American English",
pages = "273--285",
journal = "Journal of Pharmaceutical Sciences",
issn = "0022-3549",
publisher = "John Wiley and Sons Inc.",

}

Polymorphism, Intermolecular Interactions, and Spectroscopic Properties in Crystal Structures of Sulfonamides. / Sainz-Díaz, C. Ignacio; Francisco-Márquez, Misaela; Soriano-Correa, Catalina.

En: Journal of Pharmaceutical Sciences, 01.01.2018, p. 273-285.

Resultado de la investigación: Contribución a una revistaArtículo

TY - JOUR

T1 - Polymorphism, Intermolecular Interactions, and Spectroscopic Properties in Crystal Structures of Sulfonamides

AU - Sainz-Díaz, C. Ignacio

AU - Francisco-Márquez, Misaela

AU - Soriano-Correa, Catalina

PY - 2018/1/1

Y1 - 2018/1/1

N2 - © 2018 American Pharmacists Association® The antibiotics family of sulfonamides has been used worldwide intensively in human therapeutics and farm livestock during decades. Intermolecular interactions of these sulfamides are important to understand their bioactivity and biodegradation. These interactions are also responsible for their supramolecular structures. The intermolecular interactions in the crystal polymorphs of the sulfonamides, sulfamethoxypyridazine, and sulfamethoxydiazine, as models of sulfonamides, have been studied by using quantum mechanical calculations. Different conformations in the sulphonamide molecules have been detected in the crystal polymorphs. Several intermolecular patterns have been studied to understand the molecular packing behavior in these antibiotics. Strong intermolecular hydrogen bonds and π-π interactions are the main driving forces for crystal packing in these sulfonamides. Different stability between polymorphs can explain the experimental behavior of these crystal forms. The calculated infrared spectroscopy frequencies explain the main intermolecular interactions in these crystals.

AB - © 2018 American Pharmacists Association® The antibiotics family of sulfonamides has been used worldwide intensively in human therapeutics and farm livestock during decades. Intermolecular interactions of these sulfamides are important to understand their bioactivity and biodegradation. These interactions are also responsible for their supramolecular structures. The intermolecular interactions in the crystal polymorphs of the sulfonamides, sulfamethoxypyridazine, and sulfamethoxydiazine, as models of sulfonamides, have been studied by using quantum mechanical calculations. Different conformations in the sulphonamide molecules have been detected in the crystal polymorphs. Several intermolecular patterns have been studied to understand the molecular packing behavior in these antibiotics. Strong intermolecular hydrogen bonds and π-π interactions are the main driving forces for crystal packing in these sulfonamides. Different stability between polymorphs can explain the experimental behavior of these crystal forms. The calculated infrared spectroscopy frequencies explain the main intermolecular interactions in these crystals.

UR - https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=85035102837&origin=inward

UR - https://www.scopus.com/inward/citedby.uri?partnerID=HzOxMe3b&scp=85035102837&origin=inward

U2 - 10.1016/j.xphs.2017.10.015

DO - 10.1016/j.xphs.2017.10.015

M3 - Article

C2 - 29045887

SP - 273

EP - 285

JO - Journal of Pharmaceutical Sciences

JF - Journal of Pharmaceutical Sciences

SN - 0022-3549

ER -