CCDC 2057269: Experimental Crystal Structure Determination. Crystallographic data for "Charge assisted assembly of zwitterionic pyridone hydrates"

Radovanović, Lidija D.

doi:10.5517/ccdc.csd.cc271rjl

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Abstract

UREZEZ : 4-methyl-6-oxo-5-(pyridin-1-ium-1-yl)-1,6-dihydropyridin-2-olate dihydrate Space Group: P 1 (2), Cell: a 7.2258(14)Å b 8.0470(16)Å c 11.287(2)Å, α 70.71(3)° β 74.88(3)° γ 79.85(3)°

Keywords:

Computational chemistry / Hydrates / Pyridone / Stacking interactions / Zwitterions / Molecules / Network layers / Crystals structures / Pyridinium / Stacking interaction / Synthesised / Water molecule / Water tetramers / Zwitterion / Zwitterionic forms / Zwitterionics / Hydration / Crystal Structure / Experimental 3D Coordinates / Crystallography / Space Group / Cell Parameters

Source:
2021

Publisher:

The Cambridge Crystallographic Data Centre (CCDC)

Funding / projects:

Note:

Crystallographic data (CCDC 2057269) for the article: Mašulović, A. D., Lađarević, J. M., Radovanović, L. D., Vitnik, Ž. J., Vitnik, V. D., Rogan, J. R.,& Mijin, D. Ž. (2021). Charge assisted assembly of zwitterionic pyridone hydrates. Journal of Molecular Structure, Elsevier., 1237, 130419. https://doi.org/10.1016/j.molstruc.2021.130419
The published version of the article: https://cer.ihtm.bg.ac.rs/handle/123456789/4506
The peer-reviewed version of the article: https://cer.ihtm.bg.ac.rs/handle/123456789/4507
Supporting information: https://cer.ihtm.bg.ac.rs/handle/123456789/4508
Related crystallographic data (CCDC 2057270): https://cer.ihtm.bg.ac.rs/handle/123456789/4510

Related info:

Referenced by
https://doi.org/10.1016/j.molstruc.2021.130419
Referenced by
https://cer.ihtm.bg.ac.rs/handle/123456789/4506
Referenced by
https://cer.ihtm.bg.ac.rs/handle/123456789/4507

DOI: 10.5517/ccdc.csd.cc271rjl

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URI

https://cer.ihtm.bg.ac.rs/handle/123456789/4509

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IHTM

TY  - DATA
AU  - Radovanović, Lidija D.
PY  - 2021
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/4509
AB  - UREZEZ : 4-methyl-6-oxo-5-(pyridin-1-ium-1-yl)-1,6-dihydropyridin-2-olate dihydrate Space Group: P 1 (2), Cell: a 7.2258(14)Å b 8.0470(16)Å c 11.287(2)Å, α 70.71(3)° β 74.88(3)° γ 79.85(3)°
PB  - The Cambridge Crystallographic Data Centre (CCDC)
T1  - CCDC 2057269: Experimental Crystal Structure Determination. Crystallographic data for "Charge assisted assembly of zwitterionic pyridone hydrates"
DO  - 10.5517/ccdc.csd.cc271rjl
ER  -

@misc{
author = "Radovanović, Lidija D.",
year = "2021",
abstract = "UREZEZ : 4-methyl-6-oxo-5-(pyridin-1-ium-1-yl)-1,6-dihydropyridin-2-olate dihydrate Space Group: P 1 (2), Cell: a 7.2258(14)Å b 8.0470(16)Å c 11.287(2)Å, α 70.71(3)° β 74.88(3)° γ 79.85(3)°",
publisher = "The Cambridge Crystallographic Data Centre (CCDC)",
title = "CCDC 2057269: Experimental Crystal Structure Determination. Crystallographic data for "Charge assisted assembly of zwitterionic pyridone hydrates"",
doi = "10.5517/ccdc.csd.cc271rjl"
}

Radovanović, L. D.. (2021). CCDC 2057269: Experimental Crystal Structure Determination. Crystallographic data for "Charge assisted assembly of zwitterionic pyridone hydrates". 
The Cambridge Crystallographic Data Centre (CCDC)..
https://doi.org/10.5517/ccdc.csd.cc271rjl

Radovanović LD. CCDC 2057269: Experimental Crystal Structure Determination. Crystallographic data for "Charge assisted assembly of zwitterionic pyridone hydrates". 2021;.
doi:10.5517/ccdc.csd.cc271rjl .

Radovanović, Lidija D., "CCDC 2057269: Experimental Crystal Structure Determination. Crystallographic data for "Charge assisted assembly of zwitterionic pyridone hydrates"" (2021),
https://doi.org/10.5517/ccdc.csd.cc271rjl . .