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Crystal structure and Hirshfeld surface analysis of 3-(bromo­meth­yl)-2-[1,2-di­bromo-2-(6-nitro­benzo[d][1,3]dioxol-5-yl)eth­yl]-1-(phenyl­sulfon­yl)-1H-indole chloro­form 0.585-solvate

The title indole derivative, C(24)H(17)Br(3)N(2)O(6)S, crystallizes with a partial occupancy [0.585 (4)] CHCl(3) solvent mol­ecule. The dihedral angles between the indole ring system and pendant nitro­benzodioxolane rings system and phenyl­sulfonyl ring are 4.81 (14) and 72.24 (19)°, respectively. I...

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Autores principales: Achyuta, Nagaraj, Kanagasabai, Somarathinam, Vinayagam, Pavunkumar, Mohanakrishnan, Arasambattu K., Gautham, Namasivayam, Gunasekaran, Krishnasamy
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10483562/
https://www.ncbi.nlm.nih.gov/pubmed/37693675
http://dx.doi.org/10.1107/S2056989023007120
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author Achyuta, Nagaraj
Kanagasabai, Somarathinam
Vinayagam, Pavunkumar
Mohanakrishnan, Arasambattu K.
Gautham, Namasivayam
Gunasekaran, Krishnasamy
author_facet Achyuta, Nagaraj
Kanagasabai, Somarathinam
Vinayagam, Pavunkumar
Mohanakrishnan, Arasambattu K.
Gautham, Namasivayam
Gunasekaran, Krishnasamy
author_sort Achyuta, Nagaraj
collection PubMed
description The title indole derivative, C(24)H(17)Br(3)N(2)O(6)S, crystallizes with a partial occupancy [0.585 (4)] CHCl(3) solvent mol­ecule. The dihedral angles between the indole ring system and pendant nitro­benzodioxolane rings system and phenyl­sulfonyl ring are 4.81 (14) and 72.24 (19)°, respectively. In the crystal, the indole mol­ecules are linked to each other and to the chloro­form mol­ecule by weak C—H⋯O, C—H⋯Cl, C—H⋯π, C—Br⋯π and C—Cl⋯π and aromatic π–π stacking inter­actions. A Hirshfeld surface analysis was carried out and the inter­molecular contacts with the most significant contributions are H⋯O/O⋯H (24.3%), H⋯H (18.4%), Br⋯H/H⋯Br (16.8%) and C⋯H/H⋯C (8.4%).
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spelling pubmed-104835622023-09-08 Crystal structure and Hirshfeld surface analysis of 3-(bromo­meth­yl)-2-[1,2-di­bromo-2-(6-nitro­benzo[d][1,3]dioxol-5-yl)eth­yl]-1-(phenyl­sulfon­yl)-1H-indole chloro­form 0.585-solvate Achyuta, Nagaraj Kanagasabai, Somarathinam Vinayagam, Pavunkumar Mohanakrishnan, Arasambattu K. Gautham, Namasivayam Gunasekaran, Krishnasamy Acta Crystallogr E Crystallogr Commun Research Communications The title indole derivative, C(24)H(17)Br(3)N(2)O(6)S, crystallizes with a partial occupancy [0.585 (4)] CHCl(3) solvent mol­ecule. The dihedral angles between the indole ring system and pendant nitro­benzodioxolane rings system and phenyl­sulfonyl ring are 4.81 (14) and 72.24 (19)°, respectively. In the crystal, the indole mol­ecules are linked to each other and to the chloro­form mol­ecule by weak C—H⋯O, C—H⋯Cl, C—H⋯π, C—Br⋯π and C—Cl⋯π and aromatic π–π stacking inter­actions. A Hirshfeld surface analysis was carried out and the inter­molecular contacts with the most significant contributions are H⋯O/O⋯H (24.3%), H⋯H (18.4%), Br⋯H/H⋯Br (16.8%) and C⋯H/H⋯C (8.4%). International Union of Crystallography 2023-08-17 /pmc/articles/PMC10483562/ /pubmed/37693675 http://dx.doi.org/10.1107/S2056989023007120 Text en © Nagaraj et al. 2023 https://creativecommons.org/licenses/by/4.0/This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Research Communications
Achyuta, Nagaraj
Kanagasabai, Somarathinam
Vinayagam, Pavunkumar
Mohanakrishnan, Arasambattu K.
Gautham, Namasivayam
Gunasekaran, Krishnasamy
Crystal structure and Hirshfeld surface analysis of 3-(bromo­meth­yl)-2-[1,2-di­bromo-2-(6-nitro­benzo[d][1,3]dioxol-5-yl)eth­yl]-1-(phenyl­sulfon­yl)-1H-indole chloro­form 0.585-solvate
title Crystal structure and Hirshfeld surface analysis of 3-(bromo­meth­yl)-2-[1,2-di­bromo-2-(6-nitro­benzo[d][1,3]dioxol-5-yl)eth­yl]-1-(phenyl­sulfon­yl)-1H-indole chloro­form 0.585-solvate
title_full Crystal structure and Hirshfeld surface analysis of 3-(bromo­meth­yl)-2-[1,2-di­bromo-2-(6-nitro­benzo[d][1,3]dioxol-5-yl)eth­yl]-1-(phenyl­sulfon­yl)-1H-indole chloro­form 0.585-solvate
title_fullStr Crystal structure and Hirshfeld surface analysis of 3-(bromo­meth­yl)-2-[1,2-di­bromo-2-(6-nitro­benzo[d][1,3]dioxol-5-yl)eth­yl]-1-(phenyl­sulfon­yl)-1H-indole chloro­form 0.585-solvate
title_full_unstemmed Crystal structure and Hirshfeld surface analysis of 3-(bromo­meth­yl)-2-[1,2-di­bromo-2-(6-nitro­benzo[d][1,3]dioxol-5-yl)eth­yl]-1-(phenyl­sulfon­yl)-1H-indole chloro­form 0.585-solvate
title_short Crystal structure and Hirshfeld surface analysis of 3-(bromo­meth­yl)-2-[1,2-di­bromo-2-(6-nitro­benzo[d][1,3]dioxol-5-yl)eth­yl]-1-(phenyl­sulfon­yl)-1H-indole chloro­form 0.585-solvate
title_sort crystal structure and hirshfeld surface analysis of 3-(bromo­meth­yl)-2-[1,2-di­bromo-2-(6-nitro­benzo[d][1,3]dioxol-5-yl)eth­yl]-1-(phenyl­sulfon­yl)-1h-indole chloro­form 0.585-solvate
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10483562/
https://www.ncbi.nlm.nih.gov/pubmed/37693675
http://dx.doi.org/10.1107/S2056989023007120
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