Temperature-Dependent Supramolecular Motif in Coordination Compounds

Khavasi, Hamid Reza; Sadegh, Bahareh Mir Mohammad

doi:10.1021/ic100604k

Cited by 90 publications

(24 citation statements)

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“…These include a cobalt(III) (Hellyer et al, 2009), a chromium(III) and four copper(II) complexes (Mohamadou et al, 2012;Khavasi et al, 2011), all of which are mononuclear with the ligand coordinating in a tridentate manner. There are also two polymeric mercury chloride complexes (Khavasi & Sadegh, 2010), a binuclear manganese chloride complex (Khavasi et al, 2009), and a polymeric silver tetrafluoroborate complex (Hellyer et al, 2009), where the ligand coordinates in a bis-monodentate manner. Plus the report of the ligand itself as mentioned above (Sasan et al, 2008).…”

Section: Database Surveymentioning

confidence: 99%

Crystal structures ofN-(pyridin-2-ylmethyl)pyrazine-2-carboxamide (monoclinic polymorph) andN-(pyridin-4-ylmethyl)pyrazine-2-carboxamide

Cati

Stœckli-Evans

2014

Acta Cryst E

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The title compounds, C 11 H 10 N 4 O (HL1) and C 11 H 10 N 4 O (HL2), are pyridine 2-ylmethyl and 4-ylmethyl derivatives, respectively, of pyrazine-2-carboxamide. HL1 was measured at 153 K and crystallized in the monoclinic space group P2 1 /c with Z = 4. There has been a report of the same structure measured at room temperature but assumed to crystallize in the triclinic space group P1 with Z = 4 [Sasan et al. (2008). Monatsh. Chem. 139,[773][774][775][776][777][778][779][780]. In HL1, the pyridine ring is inclined to the pyrazine ring by 61.34 (6) , while in HL2 this dihedral angle is 84.33 (12) . In both molecules, there is a short N-HÁ Á ÁN interaction involving the pyrazine carboxamide unit. In the crystal of HL1, molecules are linked by N-HÁ Á ÁN hydrogen bonds, forming inversion dimers with an R 2 2 (10) ring motif. The dimers are linked via bifurcated-acceptor C-HÁ Á ÁO hydrogen bonds, forming sheets lying parallel to (102). The sheets are linked via C-HÁ Á ÁN hydrogen bonds, forming a three-dimensional structure. In the crystal of HL2, molecules are linked by N-HÁ Á ÁN and C-HÁ Á ÁN hydrogen bonds to form chains propagating along [010]. The chains are linked via C-HÁ Á ÁO hydrogen bonds, forming sheets lying parallel to (100). Within the sheets there areinteractions involving neighbouring pyrazine rings [inter-centroid distance = 3.711 (15) Å ]. Adjacent sheets are linked via parallel slipped -interactions involving inversion-related pyridine rings [inter-centroid distance = 3.6395 (17) Å ], forming a three-dimensional structure. Chemical contextThe title compounds form part of a series of ligands synthesized in order to study their coordination chemistry with 3d transition metals (Cati, 2002).They have been used to construct coordination polymers and multi-nuclear compounds, and to study their magnetic ISSN 1600-5368 properties (Cati et al., 2004). Similar ligands have been synthesized by other groups who have studied, for example, the magnetic properties of some copper(II) complexes (Hausmann et al., 2003;Kingele et al., 2007). Structural commentaryThe molecular structure of ligand HL1 is illustrated in Fig. 1. HL1 was measured at 153 K and crystallized in the monoclinic space group P2 1 /c with Z = 4. The angle is 91. 461 (11) and the systematic absences, the R int value (0.0348) and the successful refinement {R1 [I > 2(I)] = 0.0319} clearly show that at 153 K the space group is monoclinic P2 1 /c. The same structure measured at room temperature was reported to crystallize in the triclinic space group P1 with Z = 4 (Sasan et al., 2008). However, the three cell angles are close 90 (2) [ = 91.802 (6), = 89.834 (7), = 91.845 (6) ] and the crystal used was a very narrow needle. The final R1 [I > 2(I)] factor was rather high at 0.0699, hence it is possible that the choice of crystal system and space group are incorrect. However, this could not be confirmed when analysing the coordinates using the AddSymm routine in PLATON (Spek, 2009).In the molecule of HL1 there is a short N-HÁ Á ÁN hydrogen ...

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Section: Database Surveymentioning

confidence: 99%

Crystal structures ofN-(pyridin-2-ylmethyl)pyrazine-2-carboxamide (monoclinic polymorph) andN-(pyridin-4-ylmethyl)pyrazine-2-carboxamide

Cati

Stœckli-Evans

2014

Acta Cryst E

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“…These include the mononuclear copper acetate complex (Mohamadou et al, 2012). Here this ligand coordinates in a tridentate manner but in a number of other complexes it coordinates in a bis-monodentate manner via the pyridine N atom and a pyrazine N atom; for example, in two polymeric mercury chloride complexes (Khavasi et al, 2010), and a polymeric silver tetrafluoroborate complex (Hellyer et al, 2009).…”

Section: Database Surveymentioning

confidence: 99%

Crystal structure of poly[[(acetato-κO){μ₃-N-[(pyridin-4-yl)methyl]pyrazine-2-carboxamidato-κ⁴N:N¹,N²:N⁴]copper(II)] dihydrate]: a metal–organic framework (MOF)

Cati

Stœckli-Evans

2014

Acta Cryst E

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“…To clarify, the existence of a wide range of directional and nondirectional interactions, from weak intermolecular contacts to strong metal‐ligand attraction, exert influence on the first and second coordination sphere and invoke particular three‐dimensional structures which manipulate magnetic, optical and catalytic features of material ,. In addition to the above, there are a wide range of other factors that control coordination sphere and effect the final structure, including, counter ions,, solvent, temperature,– reaction conditions, metal to ligand ratio and flexibility of ligand those are explored elsewhere. Among all, modification of ligand is more popular throughout researchers; major changes in the structure of ligand, the donor atom and its position, also ligand flexibility is in the top of investigations –.…”

Section: Introductionmentioning

confidence: 99%

Fluorine‐Substituted Ligands Induce Structural Diversity of Coordination Compounds

Khavasi

Rahimi

2017

ChemistrySelect

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Seven inorganic coordination compounds based on HgBr2 and Ln−F ligands, in which Ln−F are N‐(fluorinated phenyl)‐2‐pyrazinecarboxamide, bearing fluorine substituent in different position on phenyl ring have been synthesized. These complexes, [HgBr2(L2−F)2]n, 1, [HgBr2L3−F]n, 2, [HgBr2L4−F]n, 3, [HgBr2L2,5−F]n, 4, [HgBr2(L2,6−F)2], 5, [HgBr2L2,3,4−F], 6, and [HgBr2L2,3,4,5−F]n, 7, are characterized in order to get precise insight into the fluorine substituent effect on the coordination structures. The crystal structure data resulting from X‐ray diffraction reveal that, in spite of the same metal, counter ion and reaction conditions, overall structural diversity is evident in all cases. Accordingly, fluorinated ligand exercise influence on not only first coordination sphere but also supramolecular architecture and overall construction. As a matter of fact, small changes in the position and number of fluorine existed on the phenyl ring direct both first and second coordination sphere around metal ion.

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Temperature-Dependent Supramolecular Motif in Coordination Compounds

Cited by 90 publications

References 48 publications

Crystal structures ofN-(pyridin-2-ylmethyl)pyrazine-2-carboxamide (monoclinic polymorph) andN-(pyridin-4-ylmethyl)pyrazine-2-carboxamide

Crystal structures ofN-(pyridin-2-ylmethyl)pyrazine-2-carboxamide (monoclinic polymorph) andN-(pyridin-4-ylmethyl)pyrazine-2-carboxamide

Crystal structure of poly[[(acetato-κO){μ₃-N-[(pyridin-4-yl)methyl]pyrazine-2-carboxamidato-κ⁴N:N¹,N²:N⁴]copper(II)] dihydrate]: a metal–organic framework (MOF)

Fluorine‐Substituted Ligands Induce Structural Diversity of Coordination Compounds

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Temperature-Dependent Supramolecular Motif in Coordination Compounds

Cited by 90 publications

References 48 publications

Crystal structures ofN-(pyridin-2-ylmethyl)pyrazine-2-carboxamide (monoclinic polymorph) andN-(pyridin-4-ylmethyl)pyrazine-2-carboxamide

Crystal structures ofN-(pyridin-2-ylmethyl)pyrazine-2-carboxamide (monoclinic polymorph) andN-(pyridin-4-ylmethyl)pyrazine-2-carboxamide

Crystal structure of poly[[(acetato-κO){μ3-N-[(pyridin-4-yl)methyl]pyrazine-2-carboxamidato-κ4N:N1,N2:N4]copper(II)] dihydrate]: a metal–organic framework (MOF)

Fluorine‐Substituted Ligands Induce Structural Diversity of Coordination Compounds

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Crystal structure of poly[[(acetato-κO){μ₃-N-[(pyridin-4-yl)methyl]pyrazine-2-carboxamidato-κ⁴N:N¹,N²:N⁴]copper(II)] dihydrate]: a metal–organic framework (MOF)