Crystal structure and Hirshfeld surface analysis of poly[tris(μ4-benzene-1,4-dicarboxylato)tetrakis(dimethylformamide)trinickel(II)]: a two-dimensional coordination network

Cesario Ajpi; Leopoldo Suescun; Naviana Leiva; Anders Lundblad; Göran Lindbergh; Saul Cabrera

doi:10.1107/S2056989019014658

Crystal structure and Hirshfeld surface analysis of poly[tris(μ₄-benzene-1,4-dicarboxylato)tetrakis(dimethylformamide)trinickel(II)]: a two-dimensional coordination network

Cesario Ajpi, Leopoldo Suescun, Naviana Leiva, Anders Lundblad, Göran Lindbergh, Saul Cabrera

Research output: Contribution to journal › Article › peer-review

1 Scopus citations

Abstract

The crystal structure of the title compound, [Ni3(C8H4O4)3(C3H7NO)4], is a two-dimensional coordination network formed by trinuclear linear Ni3(tp)3(DMF)4 units (tp = terephthalate = benzene-1,4-dicarboxylate and DMF = dimethylformamide) displaying a characteristic coordination mode of acetate groups in polynuclear metal-organic compounds. Individual trinuclear units are connected through tp anions in a triangular network that forms layers. One of the DMF ligands points outwards and provides interactions with equivalent planes above and below, leaving the second ligand in a structural void much larger than the DMF molecule, which shows positional disorder. Parallel planes are connected mainly through weak C - H⋯O, H⋯H and H⋯C interactions between DMF molecules, as shown by Hirshfeld surface analysis.

Original language	English
Pages (from-to)	1839-1843
Number of pages	5
Journal	Acta Crystallographica Section E: Crystallographic Communications
Volume	75
DOIs	https://doi.org/10.1107/S2056989019014658
State	Published - 1 Dec 2019

Bibliographical note

Funding Information:
This research was provided by: ASDI (Swedish International Development Agency); KHT (Royal Institute of Technology) University, Department of Applied Electrochemistry; UMSA (Universidad Mayor de San André s), Departament of Inorganic Chemistry and Materials Science/ Advanced Materials, IIQ Chemical Research Institute; PEDECIBA Química (Uruguay) (grant to L. Suescun).

Funding Information:
Funding for this research was provided by: ASDI (Swedish International Development Agency); KHT (Royal Institute of Technology) University, Department of Applied Electrochemistry; UMSA (Universidad Mayor de San Andrés), Departament of Inorganic Chemistry and Materials Science/ Advanced Materials, IIQ Chemical Research Institute; PEDECIBA Química (Uruguay) (grant to L. Suescun).

Funding Information:
aDepartament of Inorganic Chemistry and Materials Science/Advanced Materials, IIQ Chemical Research Institute, UMSA Universidad Mayor de San Andres, La Paz, Bolivia, bCryssmat-Lab/DETEMA, Facultad de Quimica, Universidad de la Republica, Montevideo, Uruguay, cDivision of Safety and Transport/Electronics, RISE, Research Institutes of Sweden, SE-50462 Borås, Sweden, and dDepartment of Chemical Engineering, Applied Electrochemistry, KTH Royal Institute of Technology, SE-100 44 Stockholm, Sweden. *Correspondence e-mail: cesario.ajpi@gmail.com, leopoldo@fq.edu.uy, saulcabreram@hotmail.com

Publisher Copyright:
© Acta Cryst. 2019.

Keywords

Ni metal-organic coordination network
crystal structure
layered structure
terephthalate

Access to Document

10.1107/S2056989019014658

Cite this

Ajpi, C., Suescun, L., Leiva, N., Lundblad, A., Lindbergh, G., & Cabrera, S. (2019). Crystal structure and Hirshfeld surface analysis of poly[tris(μ₄-benzene-1,4-dicarboxylato)tetrakis(dimethylformamide)trinickel(II)]: a two-dimensional coordination network. Acta Crystallographica Section E: Crystallographic Communications, 75, 1839-1843. https://doi.org/10.1107/S2056989019014658

@article{0643cc1ea60949eeb98c8218f041606a,

title = "Crystal structure and Hirshfeld surface analysis of poly[tris(μ4-benzene-1,4-dicarboxylato)tetrakis(dimethylformamide)trinickel(II)]: a two-dimensional coordination network",

abstract = "The crystal structure of the title compound, [Ni3(C8H4O4)3(C3H7NO)4], is a two-dimensional coordination network formed by trinuclear linear Ni3(tp)3(DMF)4 units (tp = terephthalate = benzene-1,4-dicarboxylate and DMF = dimethylformamide) displaying a characteristic coordination mode of acetate groups in polynuclear metal-organic compounds. Individual trinuclear units are connected through tp anions in a triangular network that forms layers. One of the DMF ligands points outwards and provides interactions with equivalent planes above and below, leaving the second ligand in a structural void much larger than the DMF molecule, which shows positional disorder. Parallel planes are connected mainly through weak C - H⋯O, H⋯H and H⋯C interactions between DMF molecules, as shown by Hirshfeld surface analysis.",

keywords = "Ni metal-organic coordination network, crystal structure, layered structure, terephthalate",

author = "Cesario Ajpi and Leopoldo Suescun and Naviana Leiva and Anders Lundblad and G{\"o}ran Lindbergh and Saul Cabrera",

note = "Publisher Copyright: {\textcopyright} Acta Cryst. 2019.",

year = "2019",

month = dec,

day = "1",

doi = "10.1107/S2056989019014658",

language = "Ingl{\'e}s",

volume = "75",

pages = "1839--1843",

journal = "Acta Crystallographica Section E: Crystallographic Communications",

issn = "2056-9890",

publisher = "International Union of Crystallography",

}

Ajpi, C, Suescun, L, Leiva, N, Lundblad, A, Lindbergh, G & Cabrera, S 2019, 'Crystal structure and Hirshfeld surface analysis of poly[tris(μ₄-benzene-1,4-dicarboxylato)tetrakis(dimethylformamide)trinickel(II)]: a two-dimensional coordination network', Acta Crystallographica Section E: Crystallographic Communications, vol. 75, pp. 1839-1843. https://doi.org/10.1107/S2056989019014658

Crystal structure and Hirshfeld surface analysis of poly[tris(μ₄-benzene-1,4-dicarboxylato)tetrakis(dimethylformamide)trinickel(II)] : a two-dimensional coordination network. / Ajpi, Cesario; Suescun, Leopoldo; Leiva, Naviana et al.

In: Acta Crystallographica Section E: Crystallographic Communications, Vol. 75, 01.12.2019, p. 1839-1843.

Research output: Contribution to journal › Article › peer-review

TY - JOUR

T1 - Crystal structure and Hirshfeld surface analysis of poly[tris(μ4-benzene-1,4-dicarboxylato)tetrakis(dimethylformamide)trinickel(II)]

T2 - a two-dimensional coordination network

AU - Ajpi, Cesario

AU - Suescun, Leopoldo

AU - Leiva, Naviana

AU - Lundblad, Anders

AU - Lindbergh, Göran

AU - Cabrera, Saul

PY - 2019/12/1

Y1 - 2019/12/1

N2 - The crystal structure of the title compound, [Ni3(C8H4O4)3(C3H7NO)4], is a two-dimensional coordination network formed by trinuclear linear Ni3(tp)3(DMF)4 units (tp = terephthalate = benzene-1,4-dicarboxylate and DMF = dimethylformamide) displaying a characteristic coordination mode of acetate groups in polynuclear metal-organic compounds. Individual trinuclear units are connected through tp anions in a triangular network that forms layers. One of the DMF ligands points outwards and provides interactions with equivalent planes above and below, leaving the second ligand in a structural void much larger than the DMF molecule, which shows positional disorder. Parallel planes are connected mainly through weak C - H⋯O, H⋯H and H⋯C interactions between DMF molecules, as shown by Hirshfeld surface analysis.

AB - The crystal structure of the title compound, [Ni3(C8H4O4)3(C3H7NO)4], is a two-dimensional coordination network formed by trinuclear linear Ni3(tp)3(DMF)4 units (tp = terephthalate = benzene-1,4-dicarboxylate and DMF = dimethylformamide) displaying a characteristic coordination mode of acetate groups in polynuclear metal-organic compounds. Individual trinuclear units are connected through tp anions in a triangular network that forms layers. One of the DMF ligands points outwards and provides interactions with equivalent planes above and below, leaving the second ligand in a structural void much larger than the DMF molecule, which shows positional disorder. Parallel planes are connected mainly through weak C - H⋯O, H⋯H and H⋯C interactions between DMF molecules, as shown by Hirshfeld surface analysis.

KW - Ni metal-organic coordination network

KW - crystal structure

KW - layered structure

KW - terephthalate

UR - http://www.scopus.com/inward/record.url?scp=85076376986&partnerID=8YFLogxK

U2 - 10.1107/S2056989019014658

DO - 10.1107/S2056989019014658

M3 - Artículo

AN - SCOPUS:85076376986

VL - 75

SP - 1839

EP - 1843

JO - Acta Crystallographica Section E: Crystallographic Communications

JF - Acta Crystallographica Section E: Crystallographic Communications

SN - 2056-9890

ER -