Cargando…

Crystal structure and Hirshfeld surface analysis of (4Z)-1-butyl-4-(2-oxopropylidene)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one

The asymmetric unit of the title compound, C(16)H(20)N(2)O(2), consists of two independent molecules differing slightly in the conformations of the seven-membered rings and the butyl substituents, where the benzene rings are oriented at a dihedral angle of 34.56 (3)°. In the crystal, pairwise inter...

Descripción completa

Detalles Bibliográficos
Autores principales:	Chkirate, Karim, Sebbar, Nada Kheira, Hökelek, Tuncer, Krishnan, Damodaran, Mague, Joel T., Essassi, El Mokhtar
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	International Union of Crystallography 2018
Materias:	Research Communications
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6218913/ https://www.ncbi.nlm.nih.gov/pubmed/30443403 http://dx.doi.org/10.1107/S2056989018014779

Ejemplares similares

Crystal structure and Hirshfeld surface analysis of 5-methyl-1,2,4-triazolo[1,5-a]pyrimidine
por: Lahmidi, Sanae, et al.
Publicado: (2018)

Crystal structure, Hirshfeld surface analysis and interaction energy calculation of 4-(furan-2-yl)-2-(6-methyl-2,4-dioxopyran-3-ylidene)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
por: El Hafi, Mohamed, et al.
Publicado: (2021)

Synthesis, crystal structure and Hirshfeld surface analysis of 3-(4,4-dimethyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-ylidene)-6-methyl-3,4-dihydro-2H-pyran-2,4-dione
por: Samba, Mohamed, et al.
Publicado: (2019)

Crystal structure, Hirshfeld surface analysis, interaction energy and DFT studies of 4-[(4-allyl-2-methoxyphenoxy)methyl]-1-(4-methoxyphenyl)-1H-1,2,3-triazole
por: Taia, Abdelmaoujoud, et al.
Publicado: (2020)

Crystal structure and Hirshfeld surface analysis of 1-[(1-butyl-1H-1,2,3-triazol-4-yl)methyl]-3-methylquinoxalin-2(1H)-one
por: Abad, Nadeem, et al.
Publicado: (2018)

Crystal structure, Hirshfeld surface analysis and DFT study of (2Z)-2-(4-fluorobenzylidene)-4-(prop-2-yn-1-yl)-3,4-dihydro-2H-1,4-benzothiazin-3-one
por: Hni, Brahim, et al.
Publicado: (2019)

Crystal structure, Hirshfeld surface analysis and interaction energy, DFT and antibacterial activity studies of (Z)-4-hexyl-2-(4-methylbenzylidene)-2H-benzo[b][1,4]thiazin-3(4H)-one
por: Sebbar, Ghizlane, et al.
Publicado: (2020)

Crystal structure and Hirshfeld surface analysis of ethyl 2-{4-[(3-methyl-2-oxo-1,2-dihydroquinoxalin-1-yl)methyl]-1H-1,2,3-triazol-1-yl}acetate
por: Abad, Nadeem, et al.
Publicado: (2018)

Crystal structure, Hirshfeld surface analysis and DFT calculations of (E)-3-[1-(2-hydroxyphenylanilino)ethylidene]-6-methylpyran-2,4-dione
por: Faraj, Imane, et al.
Publicado: (2022)

Crystal structure, Hirshfeld surface analysis and interaction energy, DFT and antibacterial activity studies of ethyl 2-[(2Z)-2-(2-chlorobenzylidene)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetate
por: Sebbar, Ghizlane, et al.
Publicado: (2020)

Crystal structure, Hirshfeld surface analysis and DFT study of (2Z)-2-(2,4-dichlorobenzylidene)-4-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-3,4-dihydro-2H-1,4-benzothiazin-3-one
por: Hni, Brahim, et al.
Publicado: (2019)

Crystal structure, Hirshfeld surface analysis, interaction energy and DFT studies of (2Z)-2-(2,4-dichlorobenzylidene)-4-nonyl-3,4-dihydro-2H-1,4-benzothiazin-3-one
por: Hni, Brahim, et al.
Publicado: (2020)

Crystal structure, Hirshfeld surface analysis and interaction energy and DFT studies of (2Z)-4-benzyl-2-(2,4-dichlorobenzylidene)-2H-1,4-benzothiazin-3(4H)-one
por: Sebbar, Nada Kheira, et al.
Publicado: (2019)

4-Acetyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine
por: Zhao, Qing-Jie, et al.
Publicado: (2008)

Crystal structure, Hirshfeld surface analysis and interaction energy and DFT studies of 3-{(2Z)-2-[(2,4-dichlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl}propanenitrile
por: Sebbar, Nada Kheira, et al.
Publicado: (2019)

Crystal structure of (Z)-7,8-dichloro-4-(2-oxopropylidene)-4,5-dihydro-1H-1,5-benzodiazepin-2(3H)-one
por: Lahmidi, Sanae, et al.
Publicado: (2015)

Crystal structure and Hirshfeld surface analysis of 1-benzyl-3-(prop-2-yn-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-one
por: Saber, Asmaa, et al.
Publicado: (2018)

3-Hydroxy-4-phenyl-1-(prop-2-en-1-yl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one
por: Rida, Mohamed, et al.
Publicado: (2011)

Crystal structure and Hirshfeld surface analysis of 1-{[2-oxo-3-(prop-1-en-2-yl)-2,3-dihydro-1H-1,3-benzodiazol-1-yl]methyl}-3-(prop-1-en-2-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-one
por: Saber, Asmaa, et al.
Publicado: (2018)

Crystal structure, Hirshfeld surface analysis and DFT studies of 1-benzyl-3-[(1-benzyl-1H-1,2,3-triazol-5-yl)methyl]-2,3-dihydro-1H-1,3-benzodiazol-2-one monohydrate
por: Saber, Asmaa, et al.
Publicado: (2020)

4-Methyl-2-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-5-carbaldehyde
por: Ravichandran, K., et al.
Publicado: (2009)

5-Chloroacetyl-4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one
por: Ravichandran, K., et al.
Publicado: (2009)

4-[(1,5-Dibenzyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-3-yl)methyl]-1-n-octyl-1H-1,2,3-triazole
por: Jabli, Hind, et al.
Publicado: (2009)

2-Chloro-1-(2,4,4-trimethyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl)ethanone
por: Thiruselvam, V., et al.
Publicado: (2013)

Crystal structure, Hirshfeld surface analysis and interaction energy and DFT studies of 1-methyl-3-(prop-2-yn-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-one
por: Saber, Asmaa, et al.
Publicado: (2019)

Ethyl {4-[(1,5-dimethyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-3-yl)methyl]-1,2,3-triazol-1-yl}acetate
por: Dardouri, Rachida, et al.
Publicado: (2010)

2,2,4-Trimethyl-5-(4-tolylsulfonyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
por: Ravichandran, K., et al.
Publicado: (2009)

Crystal structure, Hirshfeld surface analysis and DFT study of 6-bromo-3-(5-bromohexyl)-2-[4-(dimethylamino)phenyl]-3H-imidazo[4,5-b]pyridine
por: Jabri, Zainab, et al.
Publicado: (2020)

5-Dichloroacetyl-4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one hemihydrate
por: Ravichandran, K., et al.
Publicado: (2009)

Crystal structure, Hirshfeld surface analysis and interaction energy and DFT studies of 1-(1,3-benzothiazol-2-yl)-3-(2-hydroxyethyl)imidazolidin-2-one
por: Srhir, Mohamed, et al.
Publicado: (2020)

Ethyl 2-{4-[(1,5-dibenzyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-3-yl)methyl]-1H-1,2,3-triazol-1-yl}acetate
por: Jabli, Hind, et al.
Publicado: (2009)

Crystal structure, Hirshfeld surface analysis, interaction energy and DFT calculations and energy frameworks of methyl 6-chloro-1-methyl-2-oxo-1,2-dihydroquinoline-4-carboxylate
por: Filali Baba, Yassir, et al.
Publicado: (2022)

Crystal structure and Hirshfeld surface analysis of 3,4-dihydro-2-(2,4-dioxo-6-methylpyran-3-ylidene)-4-(4-pyridin-4-yl)-1,5-benzodiazepine
por: El Ghayati, Lhoussaine, et al.
Publicado: (2019)

Crystal structure and Hirshfeld surface analysis of a new benzodiazepine derivative: 4-dichloromethyl-2,3-dihydro-1H-1,5-benzodiazepin-2-one
por: Chkirate, Karim, et al.
Publicado: (2019)

1-(12-Azido-n-dodecyl)-4-[(1,5-dibenzyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-3-yl)methyl]-1H-1,2,3-triazole
por: Jabli, Hind, et al.
Publicado: (2009)

Crystal structure, Hirshfeld surface analysis and interaction energy and DFT studies of 2-chloroethyl 2-oxo-1-(prop-2-yn-1-yl)-1,2-dihydroquinoline-4-carboxylate
por: Hayani, Sonia, et al.
Publicado: (2019)

Crystal structure of 2,2,4-trimethyl-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepine hemihydrate
por: Ezhilarasi, K. S., et al.
Publicado: (2015)

2-Ethoxymethyl-6-ethyl-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione
por: El-Brollosy, Nasser R., et al.
Publicado: (2012)

Crystal structure, Hirshfeld surface analysis and interaction energy calculation of 1-decyl-2,3-dihydro-1H-benzimidazol-2-one
por: Ait Elmachkouri, Younesse, et al.
Publicado: (2021)

3,3,4,4-Tetrafluoro-2,3,4,5-tetrahydro-1,6-benzodioxocine-8-carbaldehyde
por: Zeng, Zhuo, et al.
Publicado: (2010)

Cannot write session to /tmp/vufind_sessions/sess_tj10pj5hnpvknga4lmk0qqv99e