Cargando…

Crystal structure and Hirshfeld surface analysis of a pyrrolo-thiazine complex

In the title compound, diethyl 2,2-dioxo-4-(thiophen-2-yl)-1-[(thiophen-2-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]thiazine-1,3-dicarboxylate, C(22)H(28)NO(6)S(3), the pyrrolo ring is in an envelope conformation while the thiazine ring adopts a near chair conformation. The di...

Descripción completa

Detalles Bibliográficos
Autores principales:	Sribala, R., Srinivasan, N., Rajalaksmi, P., Indumathi, S., Krishnakumar, R.V.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	International Union of Crystallography 2021
Materias:	Research Communications
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8340966/ https://www.ncbi.nlm.nih.gov/pubmed/34422298 http://dx.doi.org/10.1107/S2056989021006642

Ejemplares similares

Isomorphous diethyl 1-(4-chlorobenzyl)-4-(4-chlorophenyl)-2,2-dioxo-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]thiazine-1,3-dicarboxylate and its 1-(4-methylbenzyl)-4-(4-methylphenyl)-substituted analogue obeying the chloro–methyl exchange rule
por: Sribala, R., et al.
Publicado: (2018)

Crystal structure and molecular Hirshfeld surface analysis of acenaphthene derivatives obeying the chlorine–methyl exchange rule
por: Sribala, R., et al.
Publicado: (2019)

Crystal structure of methyl 1-allyl-4-methyl-1H-benzo[c][1,2]thiazine-3-carboxylate 2,2-dioxide
por: Azotla-Cruz, Liliana, et al.
Publicado: (2016)

Diethyl 1-benzyl-2,2-dioxo-4-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]thiazine-1,3-dicarboxylate
por: Chitradevi, A., et al.
Publicado: (2011)

2-(4-Chlorophenyl)-3,5-dimethyl-1λ(6),2-thiazine-1,1-dione
por: Braim, Rostam R., et al.
Publicado: (2011)

Ethyl 3-(4-chlorobenzoyl)-1-(4-chlorobenzyl)-4-(4-chlorophenyl)-2,2-dioxo-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]thiazine-1-carboxylate
por: Chitradevi, A., et al.
Publicado: (2013)

Crystal structure, Hirshfeld surface and crystal void analysis, intermolecular interaction energies, DFT calculations and energy frameworks of 2H-benzo[b][1,4]thiazin-3(4H)-one 1,1-dioxide
por: Irrou, Ezaddine, et al.
Publicado: (2023)

Crystal structure of 10-ethyl-7-(9-ethyl-9H-carbazol-3-yl)-10H-phenothiazine-3-carbaldehyde
por: Mahalakshmi, Vairavan, et al.
Publicado: (2017)

Crystal structure and Hirshfeld surface analysis of 3-amino-5-phenylthiazolidin-2-iminium bromide
por: Duruskari, Gulnara Sh., et al.
Publicado: (2019)

Crystal structures of rac-2,3-diphenyl-2,3,5,6-tetrahydro-4H-1,3-thiazine-1,1,4-trione and N-[(2S,5R)-1,1,4-trioxo-2,3-diphenyl-1,3-thiazinan-5-yl]acetamide
por: Yennawar, Hemant P., et al.
Publicado: (2023)

Methyl 5-chloro-4-hydroxy-2,2-dioxo-1H-2λ(6),1-benzothiazine-3-carboxylate: structure and Hirshfeld surface analysis
por: Shishkina, Svitlana V., et al.
Publicado: (2020)

Crystal structure and Hirshfeld surface analysis of N-(5-iodo-4-phenylthiazol-2-yl)acetamide
por: Herrera-España, Angel D., et al.
Publicado: (2019)

Crystal structure and Hirshfeld surface analysis of two organic salts based on 1,3,4-thiadiazole derivatives
por: Izotova, Lidiya, et al.
Publicado: (2023)

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)

N′-(1,3-Benzothiazol-2-yl)benzenesulfonohydrazide: crystal structure, Hirshfeld surface analysis and computational chemistry
por: Baddeley, Thomas C., et al.
Publicado: (2019)

Crystal structure and Hirshfeld surface analysis of 3,6-bis(pyrimidin-2-yl)-1,4-dihydro-1,2,4,5-tetrazine dihydrate
por: Khotchasanthong, Kenika, et al.
Publicado: (2020)

Crystal structure and Hirshfeld surface analysis of (E)-N-(4-propyloxybenzylidene)benzo[d]thiazol-2-amine
por: Sheakh Mohamad, Ropak A., et al.
Publicado: (2020)

Crystal structure and Hirshfeld surface analysis of (E)-3-(benzylideneamino)-5-phenylthiazolidin-2-iminium bromide
por: Duruskari, Gulnara Sh., et al.
Publicado: (2020)

An orthorhombic polymorph of 2-(1,3,5-dithiazinan-5-yl)ethanol or MEA-dithiazine
por: Schultheiss, Nate, et al.
Publicado: (2022)

Crystal structure of 2-(4-methylphenyl)-4H-1,3-benzothiazine
por: Sandhya, N. C., et al.
Publicado: (2015)

Crystal structure and Hirshfeld surface analysis of pulcherrin J
por: Ogbeide, K. Osahon, et al.
Publicado: (2017)

Crystal structure and Hirshfeld surface analysis of (E)-3-[(4-chlorobenzylidene)amino]-5-phenylthiazolidin-2-iminium bromide
por: Duruskari, Gulnara Sh., et al.
Publicado: (2019)

Crystal structure and Hirshfeld surface analysis of (E)-3-[(4-fluorobenzylidene)amino]-5-phenylthiazolidin-2-iminium bromide
por: Khalilov, Ali N., et al.
Publicado: (2019)

Crystal structure and Hirshfeld surface analysis of 1-(2-amino-4-methyl-1,3-thiazol-5-yl)ethan-1-one
por: Huseynov, Elnur Z., et al.
Publicado: (2023)

3,3′-(Phenylmethylene)bis(1-ethyl-3,4-dihydro-1H-2,1-benzothiazine-2,2,4-trione): single-crystal X-ray diffraction study, quantum-chemical calculations and Hirshfeld surface analysis
por: Shyshkina, Mariia O., et al.
Publicado: (2023)

Crystal structure, Hirshfeld surface analysis and interaction energy and DFT studies of (S)-10-propargylpyrrolo[2,1-c][1,4]benzodiazepine-5,11-dione
por: Jeroundi, Dounia, et al.
Publicado: (2020)

Crystal structure, Hirshfeld surface analysis and DFT calculations of 7-bromo-2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one
por: Tojiboev, Akmaljon, et al.
Publicado: (2022)

Crystal structure of 4-benzyl-2H-benzo[b][1,4]thiazin-3(4H)-one
por: Sebbar, N. K., et al.
Publicado: (2015)

Crystal structure and Hirshfeld surface analysis of 4-(naphthalen-2-yl)-N-[(Z)-4-propoxybenzylidene]-1,3-thiazol-2-amine
por: Sheakh Mohamad, Ropak A., et al.
Publicado: (2020)

Crystal structure from X-ray powder diffraction data, DFT-D calculation, Hirshfeld surface analysis, and energy frameworks of (RS)-trichlormethiazide
por: Toro, Robert A., et al.
Publicado: (2022)

Crystal structure and Hirshfeld surface analysis of 5-(5-phenyl-1,2-oxazol-3-yl)-1,3,4-thiadiazol-2-amine
por: Nikitina, Evgeniya V., et al.
Publicado: (2022)

m-Xylylenediaminium sulfate: crystal structure and Hirshfeld surface analysis
por: Guesmi, Afef, et al.
Publicado: (2016)

Crystal structure and Hirshfeld surface analysis of 1,3-diethynyladamantane
por: Domasevitch, Kostiantyn V., et al.
Publicado: (2020)

Spontaneous resolution and crystal structure of (2S)-2-(3-nitrophenyl)-3-phenyl-2,3,5,6-tetrahydro-4H-1,3-thiazin-4-one; crystal structure of rac-2-(4-nitrophenyl)-3-phenyl-2,3,5,6-tetrahydro-4H-1,3-thiazin-4-one
por: Yennawar, Hemant P., et al.
Publicado: (2018)

Molecular and crystal structure of methyl 4-methyl-2,2-dioxo-1H-2λ(6),1-benzothiazine-3-carboxylate
por: Shishkina, Svitlana, et al.
Publicado: (2018)

Crystal structure and Hirshfeld surface analysis of (E)-3-[(2,3-dichlorobenzylidene)amino]-5-phenylthiazolidin-2-iminium bromide
por: Akkurt, Mehmet, et al.
Publicado: (2018)

Crystal structure and Hirshfeld surface analysis of (E)-5-phenyl-3-[(pyridin-4-ylmethylidene)amino]thiazolidin-2-iminium bromide monohydrate
por: Akkurt, Mehmet, et al.
Publicado: (2018)

Crystal structure and Hirshfeld surface analysis of (Z)-4-chloro-N′-(4-oxothiazolidin-2-ylidene)benzenesulfonohydrazide monohydrate
por: Pai, Nikhila, et al.
Publicado: (2018)

Racemic mefloquinium chlorodifluoroacetate: crystal structure and Hirshfeld surface analysis
por: Wardell, James L., et al.
Publicado: (2018)

Crystal structures of two solvated 2-aryl-3-phenyl-2,3-dihydro-4H-pyrido[3,2-e][1,3]thiazin-4-ones
por: Yennawar, Hemant P., et al.
Publicado: (2019)

Cannot write session to /tmp/vufind_sessions/sess_kbjl7bo7s8oqnklflo6bjprru2