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Akademický článek

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

Autor: R. Sribala, N. Srinivasan, P. Rajalaksmi, S. Indumathi, R.V. Krishnakumar

Publikováno v: Acta Crystallographica Section E: Crystallographic Communications, Vol 77, Iss 8, Pp 770-774 (2021)

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, C22H28NO6S3, the pyrrolo ring is in an envelope conformation while the thiazine ring adopts

Externí odkaz: https://doaj.org/article/edc3f415a6674e55bdc0100c47670678

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Akademický článek

Crystal structure and molecular Hirshfeld surface analysis of acenaphthene derivatives obeying the chlorine–methyl exchange rule

Autor: R. Sribala, S. Indhumathi, R.V. Krishnakumar, N. Srinivasan

Publikováno v: Acta Crystallographica Section E: Crystallographic Communications, Vol 75, Iss 10, Pp 1456-1462 (2019)

Instances of crystal structures that remain isomorphous in spite of some minor changes in their respective molecules, such as change in a substituent atom/group, can provide insights into the factors that govern crystal packing. In this context, an a

Externí odkaz: https://doaj.org/article/7b687a952a2743a1b2a29a5c664703c4

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Akademický článek

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

Autor: R. Sribala, N. Srinivasan, S. Indumathi, R. V. Krishnakumar

Publikováno v: Acta Crystallographica Section E: Crystallographic Communications, Vol 74, Iss 9, Pp 1267-1271 (2018)

Accurate studies on the effect of substituents on the crystal packing are essential for understanding the intermolecular interactions and thus paving the way to crystal structure prediction. The crystal structures of diethyl 1-(4-chlorobenzyl)-4-(4-c

Externí odkaz: https://doaj.org/article/6adfc087cc314184b31f876a10048ed5

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Akademický článek

1-Methyl-1′-(4-methylphenyl)-2′,3′,5′,6′,7′,7a'-hexahydro-1′H-dispiro[piperidine-3,2′-pyrrolizine-3′,3′′-indoline]-4,2′′-dione

Autor: S. Ramaswamy, R. Sribala, N. Srinivasan, R. V. Krishnakumar, R. Ranjith Kumar

Publikováno v: Acta Crystallographica Section E, Vol 68, Iss 9, Pp o2772-o2773 (2012)

The title compound, C26H29N3O2, crystallizes with two molecules in the asymmetric unit, having C—H...O interactions between them and resulting in a dimer characterized by an R22(11) motif. These dimers are linked into an ABABAB chain via N—H...O,

Externí odkaz: https://doaj.org/article/f8ce2fd9c2f44ae18aa5195009c37aac

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Akademický článek

4′-(2,4-Dichlorophenyl)-1,1′-dimethylpiperidine-3-spiro-3′-pyrrolidine-2′-spiro-3′′-indoline-4,2′′-dione

Autor: N. Srinivasan, R. V. Krishnakumar, R. Ranjithkumar, R. Sribala, S. Nagamuthu

Publikováno v: Acta Crystallographica Section E, Vol 66, Iss 3, Pp o717-o717 (2010)

In the title compound, C23H23Cl2N3O2, the pyrroline ring adopts an envelope conformation and the piperidinone ring assumes a slightly twisted chair form. In the crystal, inversion dimers linked by pairs of N—H...O hydrogen bonds generate an R28 gra

Externí odkaz: https://doaj.org/article/526549ae3eed43ebabb9d6fe93f75dd9

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

Autor: N. Srinivasan, R. V. Krishnakumar, P. Rajalaksmi, S. Indumathi, R. Sribala

Publikováno v: Acta Crystallographica Section E: Crystallographic Communications
Acta Crystallographica Section E: Crystallographic Communications, Vol 77, Iss 8, Pp 770-774 (2021)

In 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, the pyrrolo ring is in an envelope conformation while the thiazine ring adopts a near chair co

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::88ea3ccbce2b94968d374dd89746b5cc
http://europepmc.org/articles/PMC8340966

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Akademický článek

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Crystal structure and mol-ecular Hirshfeld surface analysis of acenaphthene derivatives obeying the chlorine-methyl exchange rule

Autor: R. Sribala, N. Srinivasan, S. Indhumathi, R. V. Krishnakumar

Publikováno v: Acta Crystallographica Section E: Crystallographic Communications
Acta Crystallographica Section E: Crystallographic Communications, Vol 75, Iss 10, Pp 1456-1462 (2019)

The change of substituents viz. a chlorine atom in (I) replaced by a methyl group in (II) has not induced any differences in their respective crystal packing features, confirming the validity of the chlorine–methyl exchange rule.
Instances of

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8cc86007c43af6af2ee9940e6a7e3240
https://pubmed.ncbi.nlm.nih.gov/31636975

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Isomorphous diethyl 1-(4-chloro-benz-yl)-4-(4-chloro-phen-yl)-2,2-dioxo-3,4,6,7,8,8a-hexa-hydro-1

Autor: R, Sribala, N, Srinivasan, S, Indumathi, R V, Krishnakumar

Publikováno v: Acta crystallographica. Section E, Crystallographic communications. 74(Pt 9)

Accurate studies on the effect of substituents on the crystal packing are essential for understanding the inter-molecular inter-actions and thus paving the way to crystal structure prediction. The crystal structures of diethyl 1-(4-chloro-benz-yl)-4-

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=pmid________::73714bd028310cd3ea0f02ebcac60e3c
https://pubmed.ncbi.nlm.nih.gov/30225114

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Akademický článek

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