Cargando…

2-Amino-4-(4-chloro-1-ethyl-2,2-dioxo-1H-benzo[c][1,2]thiazin-3-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile: single-crystal X-ray diffraction study and Hirshfeld surface analysis

In the title compound, C(22)H(22)ClN(3)O(4)S, which has potential non-steroidal anti-inflammatory activity, the benzothiazine and cyclohexenone rings both adopt a distorted sofa conformation while the 4H-pyrane ring adopts a very flattened sofa conformation. The two bicyclic fragments are skewed...

Descripción completa

Detalles Bibliográficos
Autores principales:	Shyshkina, Mariia O., Lega, Dmitry A., Goryachiy, Volodymyr D., Shemchuk, Ludmila M., Levashov, Dmitriy V., Shemchuk, Leonid A.
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/PMC8061096/ https://www.ncbi.nlm.nih.gov/pubmed/33953954 http://dx.doi.org/10.1107/S2056989021002085

Ejemplares similares

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)

Ethyl 2-(3,4-dimethyl-5,5-dioxo-1H,4H-benzo[e]pyrazolo[4,3-c][1,2]thiazin-1-yl)acetate
por: Aslam, Sana, et al.
Publicado: (2012)

Ethyl 2-amino-7,7-dimethyl-2′,5-dioxospiro[5,6,7,8-tetrahydro-4H-chromene-4,3′(2′H)-1H-indole]-3-carboxylate
por: Wang, Jing, et al.
Publicado: (2010)

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

Crystal structure of 2-amino-5,6,7,8-tetrahydro-7,7-dimethyl-4-(naphthalen-2-yl)-5-oxo-4H-chromene-3-carbonitrile
por: Hebishy, Ali M. S., et al.
Publicado: (2022)

Crystal structure of (Z)-2-benzylidene-4-methyl-2H-benzo[b][1,4]thiazin-3(4H)-one
por: Ellouz, Mohamed, et al.
Publicado: (2015)

2,3-Diphenyl-2,3,5,6-tetrahydro-4H-1,3-thiazin-4-one
por: Yennawar, Hemant P., et al.
Publicado: (2014)

Methyl 2-(1a,4a-dimethyl-2,8-dioxo-2,3,4,4a,5,6,7,8-octahydro-1aH-1-oxacyclopropa[d]naphthalen-7-yl)acrylate
por: Tebbaa, Mohamed, et al.
Publicado: (2012)

2,3-Diphenyl-2,3,5,6-tetrahydro-4H-1,3-thiazin-4-one. Corrigendum
por: Yennawar, Hemant P., et al.
Publicado: (2015)

2,3-Diphenyl-2,3-dihydro-4H-pyrido[3,2-e][1,3]thiazin-4-one
por: Yennawar, Hemant P., et al.
Publicado: (2014)

1-(4-Hydroxy-2-methyl-1,1-dioxo-2H-1,2-benzothiazin-3-yl)ethanone
por: Ahmad, Matloob, et al.
Publicado: (2008)

2-[1,1-Dioxo-2-(2,4,5-trifluorobenzyl)-2H-1,2-benzothiazin-4-yl]acetic acid
por: Yang, Yanchun, et al.
Publicado: (2012)

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-(3,4-Dimethyl-5,5-dioxo-2H,4H-pyrazolo[4,3-c][1,2]benzothiazin-2-yl)acetic acid
por: Aslam, Sana, et al.
Publicado: (2012)

1,2-Benzoxathiin-4(3H)-one 2,2-dioxide – new enol nucleophile in three-component interaction with benzaldehydes and active methylene nitriles
por: Grygoriv, Galyna V., et al.
Publicado: (2018)

(2-Bromophenyl)(4-hydroxy-1,1-dioxo-2H-1,2-benzothiazin-3-yl)methanone
por: Sattar, Nazia, et al.
Publicado: (2012)

(2-Chlorophenyl)(4-hydroxy-1,1-dioxo-2H-1,2-benzothiazin-3-yl)methanone
por: Sattar, Nazia, et al.
Publicado: (2012)

4-Imino-2,7-dimethyl-5,6,7,8-tetrahydro-4H-1-benzothieno[2,3-d]pyrimidin-3-amine
por: Kalashetti, Mallikarjun B., et al.
Publicado: (2012)

Crystal structures of the sulfones of 2,3-diphenyl-2,3-dihydro-4H-1,3-benzothiazin-4-one and 2,3-diphenyl-2,3-dihydro-4H-pyrido[3,2-e][1,3]thiazin-4-one
por: Yennawar, Hemant P., et al.
Publicado: (2023)

2-(3,4-Dimethyl-5,5-dioxo-2H,4H-pyrazolo[4,3-c][1,2]benzothiazin-2-yl)-1-(4-methoxyphenyl)ethanone
por: Aslam, Sana, et al.
Publicado: (2012)

(4-Hydroxy-1,1-dioxo-2H-1,2-benzothiazin-3-yl)(3-methoxyphenyl)methanone
por: Gul, Salman, et al.
Publicado: (2010)

2-Benzoyl-2H-1,4-benzothiazin-3(4H)-one
por: Shahwar, Durre, et al.
Publicado: (2010)

5,6,7,8-Tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9(4H)-one
por: Ettahiri, Walid, et al.
Publicado: (2023)

2-(3,4-Dimethyl-5,5-dioxo-2H,4H-pyrazolo[4,3-c][1,2]benzothiazin-2-yl)-N′-(2-thienylmethylidene)acetohydrazide
por: Ahmad, Matloob, et al.
Publicado: (2010)

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)

Isopropyl (3,4-dimethyl-5,5-dioxo-4H-pyrazolo[4,3-c][1,2]benzothiazin-2-yl)acetate
por: Aslam, Sana, et al.
Publicado: (2010)

N′-[1-(2,4-Dioxo-3,4-dihydro-2H-1-benzopyran-3-ylidene)ethyl]thiophene-2-carbohydrazide
por: Helliwell, Madeleine, et al.
Publicado: (2011)

N-(2,6-Dimethylanilino)-5,6-dihydro-4H-1,3-thiazin-3-ium chloride monohydrate
por: Veidis, Mikelis V., et al.
Publicado: (2008)

2-(3-Benzoyl-4-hydroxy-1,1-dioxo-2H-1λ(6),2-benzothiazin-2-yl)-1-phenylethanone
por: Sattar, Nazia, et al.
Publicado: (2011)

2-Methyl-3-(10H-phenothiazin-10-yl)buta-1,3-diene-1,1,4,4-tetracarbonitrile
por: Okuno, Tsunehisa, et al.
Publicado: (2013)

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)

2-(3,4-Dimethyl-5,5-dioxo-2H,4H-pyrazolo[4,3-c][1,2]benzothiazin-2-yl)-N-(2-fluorobenzyl)acetamide
por: Ahmad, Matloob, et al.
Publicado: (2012)

N′-(2-Chlorobenzylidene)-2-(3,4-dimethyl-5,5-dioxo-2H,4H-pyrazolo[4,3-c][1,2]benzothiazin-2-yl)acetohydrazide
por: Ahmad, Matloob, et al.
Publicado: (2010)

(4S)-5′-Chloro-3,7,7-trimethyl-5,6,7,8-tetrahydro-4H-spiro[1,2-oxazolo[5,4-b]quinoline-4,3′-indole]-2′,5-dione
por: Govindan, E., et al.
Publicado: (2014)

4-(1H-Benzimidazol-2-ylmethyl)-2H-1,4-benzothiazin-3(4H)-one
por: Fun, Hoong-Kun, et al.
Publicado: (2010)

Crystal structure of meso-3,3′-(1,4-phenylene)bis(2-phenyl-2,3,5,6-tetrahydro-4H-1,3-thiazin-4-one)
por: Yennawar, Hemant P., 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)

Crystal structure of the 1:1 adduct of 2,3-diphenyl-3,4,5,6-tetrahydro-2H-1,3-thiazin-4-one with triphenyltin chloride
por: Yennawar, Hemant P., et al.
Publicado: (2016)

[2-(2,5-Dichlorobenzyl)-4-hydroxy-1,1-dioxo-2H-1,2-benzothiazin-3-yl](phenyl)methanone
por: Sattar, Nazia, et al.
Publicado: (2012)

2-(3,4-Dimethyl-5,5-dioxo-2H,4H-pyrazolo[4,3-c][1,2]benzothiazin-2-yl)-N-(3-methoxybenzyl)acetamide
por: Ahmad, Matloob, et al.
Publicado: (2012)

Cannot write session to /tmp/vufind_sessions/sess_1ca6qme1dql61opd57k5equ8ak