Crystal structure and Hirshfeld surface ...
Document type :
Article dans une revue scientifique
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Title :
Crystal structure and Hirshfeld surface analysis of 4-allyl-6-bromo-2-(4-chlorophenyl)-4H-imidazo[4,5-b]pyridine
Author(s) :
Bourichi, Selma [Auteur]
Université Sidi Mohamed Ben Abdellah [USMBA]
Kandri Rodi, Youssef [Auteur]
Université Sidi Mohamed Ben Abdellah [USMBA]
Hökelek, Tuncer [Auteur]
Hacettepe University = Hacettepe Üniversitesi
Haoudi, Amal [Auteur]
Université Sidi Mohamed Ben Abdellah [USMBA]
RENARD, Catherine [Auteur]
Unité de Catalyse et Chimie du Solide - UMR 8181 [UCCS]
Capet, Frederic [Auteur]
Unité de Catalyse et Chimie du Solide - UMR 8181 [UCCS]
Université Sidi Mohamed Ben Abdellah [USMBA]
Kandri Rodi, Youssef [Auteur]
Université Sidi Mohamed Ben Abdellah [USMBA]
Hökelek, Tuncer [Auteur]
Hacettepe University = Hacettepe Üniversitesi
Haoudi, Amal [Auteur]
Université Sidi Mohamed Ben Abdellah [USMBA]
RENARD, Catherine [Auteur]
Unité de Catalyse et Chimie du Solide - UMR 8181 [UCCS]
Capet, Frederic [Auteur]
Unité de Catalyse et Chimie du Solide - UMR 8181 [UCCS]
Journal title :
Acta Crystallographica Section E Crystallographic Communications
Volume number :
75
Pages :
43-48
Publication date :
2019
English keyword(s) :
crystal structure
imidazo[4,5-b]pyridine
Hirshfeld surface
imidazo[4,5-b]pyridine
Hirshfeld surface
HAL domain(s) :
Chimie/Catalyse
English abstract : [en]
The title compound, C15H11BrClN3, is built up from a planar imidazo[4,5-b]pyridine unit linked to phenyl and allyl substituents. The allyl substituent is rotated significantly out of the imidazo[4,5-b]pyridine plane, while ...
Show more >The title compound, C15H11BrClN3, is built up from a planar imidazo[4,5-b]pyridine unit linked to phenyl and allyl substituents. The allyl substituent is rotated significantly out of the imidazo[4,5-b]pyridine plane, while the benzene ring is inclined by 3.84 (6)° to the ring system. In the crystal, molecules are linked via a pair of weak intermolecular C—H...N hydrogen bonds, forming an inversion dimer with an R22(20) ring motif. The dimers are further connected by π–π stacking interactions between the imidazo[4,5-b]pyridine ring systems [centroid–centroid distances = 3.7161 (13) and 3.8478 (13) Å]. The important contributions to the Hirshfeld surface are H...H (35.9%), H...Cl/Cl...H (15.0%), H...C/C...H (12.4%), H...Br/Br...H (10.8%), H...N/N...H (7.5%), C...Br/Br...C (5.9%), C...C (5.5%) and C...N/N...C (4.0%) contacts.Show less >
Show more >The title compound, C15H11BrClN3, is built up from a planar imidazo[4,5-b]pyridine unit linked to phenyl and allyl substituents. The allyl substituent is rotated significantly out of the imidazo[4,5-b]pyridine plane, while the benzene ring is inclined by 3.84 (6)° to the ring system. In the crystal, molecules are linked via a pair of weak intermolecular C—H...N hydrogen bonds, forming an inversion dimer with an R22(20) ring motif. The dimers are further connected by π–π stacking interactions between the imidazo[4,5-b]pyridine ring systems [centroid–centroid distances = 3.7161 (13) and 3.8478 (13) Å]. The important contributions to the Hirshfeld surface are H...H (35.9%), H...Cl/Cl...H (15.0%), H...C/C...H (12.4%), H...Br/Br...H (10.8%), H...N/N...H (7.5%), C...Br/Br...C (5.9%), C...C (5.5%) and C...N/N...C (4.0%) contacts.Show less >
Language :
Anglais
Audience :
Internationale
Popular science :
Non
Administrative institution(s) :
ENSCL
CNRS
Centrale Lille
Univ. Artois
Université de Lille
CNRS
Centrale Lille
Univ. Artois
Université de Lille
Collections :
Submission date :
2019-09-25T15:07:20Z
2020-12-03T11:11:08Z
2020-12-03T11:11:08Z
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