Synthesis, antibacterial evaluation, crystal structure and molecular interactions analysis of new 6-Bromo-2–chloro–3-butylquinazolin-4(3 H )-one
| hal.structure.identifier | Department of Physics | |
| hal.structure.identifier | Université de Tunis El Manar [UTM] | |
| dc.contributor.author | OUERGHI, Oussama | |
| hal.structure.identifier | Department of Chemistry | |
| dc.contributor.author | GEESI, Mohammed | |
| hal.structure.identifier | Department of Physics | |
| dc.contributor.author | KAIBA, Abdellah | |
| hal.structure.identifier | Department of Chemistry | |
| dc.contributor.author | ANOUAR, El Hassane | |
| hal.structure.identifier | Department of Pharmaceutical Chemistry | |
| dc.contributor.author | AL-TAMIMI, Abdul-Malek | |
| hal.structure.identifier | Institut de Chimie de la Matière Condensée de Bordeaux [ICMCB] | |
| dc.contributor.author | GUIONNEAU, Philippe | |
| hal.structure.identifier | Department of Pharmaceutics | |
| hal.structure.identifier | Department of Medical Microbiology | |
| dc.contributor.author | IBNOUF, Elmutasim | |
| hal.structure.identifier | Université Hassan II [Casablanca] [UH2MC] | |
| dc.contributor.author | AZZALLOU, Rachid | |
| hal.structure.identifier | Department of Chemistry | |
| dc.contributor.author | BAKHT, Md Afroz | |
| hal.structure.identifier | Department of Pharmaceutical Chemistry | |
| dc.contributor.author | RIADI, Yassine | |
| dc.date.issued | 2021 | |
| dc.identifier.issn | 0022-2860 | |
| dc.description.abstractEn | An efficient process was described to prepare a novel 6‑bromo‑2‑chloro‑3-butylquinazolin-4(3H)-one. The targeted compound was synthesized from available chemicals and assessed for anti-bacterial activity. This new compound structure crystallises in the triclinic system with P-1 space group. Its unit cell parameters are (a = 4.91550(10) Å, b = 11.4764(2) Å, c = 12.1670(3) Å), volume (638.11(4) Å3), α= 110.079(8)°, β= 93.8130(10)°, γ = 95.4580(10)° and Z = 2. The crystal packing was stabilized by C = O…H hydrogen bonds and CH3CH2CH2CH2CHH….C π-stacking interaction and hydrogen π-π stacking interactions. Hirshfeld surfaces and their associated two-dimensional fingerprint plots were used to analyze the intermolecular interactions in the crystal structure. In addition, electrostatic surface potential (ESP) was generated using the density functional theory. | |
| dc.language.iso | en | |
| dc.publisher | Elsevier | |
| dc.subject.en | 6‑bromo‑2‑chloro‑3-butylquinazolin-4(3h)-one | |
| dc.subject.en | Antibacterial | |
| dc.subject.en | Crystal structure | |
| dc.subject.en | Hirshfeld surface analysis | |
| dc.title.en | Synthesis, antibacterial evaluation, crystal structure and molecular interactions analysis of new 6-Bromo-2–chloro–3-butylquinazolin-4(3 H )-one | |
| dc.type | Article de revue | |
| dc.identifier.doi | 10.1016/j.molstruc.2020.129166 | |
| dc.subject.hal | Chimie/Chimie thérapeutique | |
| dc.subject.hal | Chimie/Cristallographie | |
| bordeaux.journal | Journal of Molecular Structure | |
| bordeaux.page | 129166 | |
| bordeaux.volume | 1225 | |
| bordeaux.peerReviewed | oui | |
| hal.identifier | hal-02929647 | |
| hal.version | 1 | |
| hal.popular | non | |
| hal.audience | Internationale | |
| hal.origin.link | https://hal.archives-ouvertes.fr//hal-02929647v1 | |
| bordeaux.COinS | ctx_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.jtitle=Journal%20of%20Molecular%20Structure&rft.date=2021&rft.volume=1225&rft.spage=129166&rft.epage=129166&rft.eissn=0022-2860&rft.issn=0022-2860&rft.au=OUERGHI,%20Oussama&GEESI,%20Mohammed&KAIBA,%20Abdellah&ANOUAR,%20El%20Hassane&AL-TAMIMI,%20Abdul-Malek&rft.genre=article |
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