Crystal structure of iron(II)-benzenedisulfonate-triaqua-bis(Nmethylpyrrolidone), Fe(BDS)(H2O)3(NMP)2, C16H28FeN2O11S2

Zitzer, Christina; Muesmann, Thomas W. T.; Christoffers, Jens; Wickleder, Ma­thias S.

doi:10.1515/ncrs-2014-0055

Cited by 3 publications

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“…The remaining metal complexes involve unbound NMP within the crystal lattice. A typical example of unidentate NMP coordination is the benzene disulfonate iron(II) complex [Fe(H 2 O) 3 (NMP) 2 (O 3 SC 6 H 4 SO 3 )] which is prepared by solvothermal crystallization from NMP [86]. The structure involves two NMP ligands bound to the iron(II) center with average Fe─O distances of 2.06 Å, Figure 21.…”

Section: N-methyl Pyrrolidonementioning

confidence: 99%

Cocrystals, Coamorphous Phases and Coordination Complexes of γ‐ andε‐Lactams

Hall

Chambers

Musa

et al. 2021

Handbook of Pyrrolidone and Caprolactam Based Materials

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The strongly interacting lactam functional group in both γand ε-lactams makes them of considerable interest in the formation of multicomponent solids including a hugely diverse range of cocrystals, coordination complexes with lactam ligands and coamorphous phases. Cocrystals are structurally homogenous crystalline substances that are comprised of two or more chemically different neutral molecules generally in stoichiometric amounts that are connected by non-ionic and non-covalent interactions [1]. The Food and Drug Administration (FDA) classifies cocrystals as crystalline materials composed of two or more different molecules, typically Active Pharmaceutical Ingredients (API) and approved, non-toxic cocrystal former (coformer), in the same crystal lattice [2].Cocrystals fall under the umbrella of multi-component molecular solids, which encompasses crystalline forms such as solvates, hydrates, and lattice inclusion compounds as well as coamorphous materials. The relationships between these various solid forms are illustrated in Figure 1. Also included under multi-component crystalline solids are solid solutions in which one component is randomly distributed in a crystal of another [4]. Salts are also multi-component molecular solids, with the main difference between a salt and a cocrystal often being proton transfer from an acid to a base that occurs to give a salt in contrast to neutral molecule cocrystals. However, the distinction is a fine one since, depending on the temperature, salts and cocrystals can interconvert [5]. Generally, true cocrystals are regarded as being formed from components that are solids at room temperature, a definition which excludes solvates and hydrates. However, this narrowing would mean that some materials involving low melting solids might be regarded as cocrystals in some labs and not others despite that fact that there is no fundamental structural difference between a cocrystal and a solvate [1,6,7].

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Section: N-methyl Pyrrolidonementioning

confidence: 99%

Cocrystals, Coamorphous Phases and Coordination Complexes of γ‐ andε‐Lactams

Hall

Chambers

Musa

et al. 2021

Handbook of Pyrrolidone and Caprolactam Based Materials

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“…This compound indeed shows a molecular structure with monodentate sulfonate anions. 14 Finally, the copper sulfonate [Cu(H 2 O) 6 ](BDS) is a nice example for a solvent-rich disulfonate showing the exclusive solvent coordination of the cation. 3 Solvent poor species are especially highly esteemed targets of our ongoing research.…”

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confidence: 99%

1,4-Benzenedisulfonic acid (H₂BDS) as terephthalic acid analogue for the preparation of coordination polymers: the examples of M(BDS)(NMP)₃(M = Mn, Fe, Co; NMP = N-methylpyrrolidone)

et al. 2015

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The solvothermal reactions of 1,4-benzenedisulfonic acid, H 2 BDS, with suitable salts of manganese, iron, and cobalt led to the new disulfonates M(BDS)(NMP) 3 (M = Mn, Fe, Co), when N-methylpyrrolidone (NMP) was used as the solvent. The isotypic compounds crystallize with triclinic symmetry (P % 1, Z = 2; M = Mn: a = 916.84(3) pm, b = 965.57(3) pm, c = 1437.87(5) pm, a = 95.297(2)1, b = 97.834(2)1, g = 92.576(2)1, R 1 /wR 2 (I 0 4 2s(I 0 )) = 0.0300/0.0701; M = Fe: a = 911.98(5) pm, b = 960.75(5) pm, c = 1432.41(8) pm, a = 94.951(2)1, b = 98.050(3)1, g = 92.029(2)1, R 1 /wR 2 (I 0 4 2s(I 0 )) = 0.0238/0.0689; M = Co: a = 911.3(1) pm, b = 959.5(1) pm, c = 1428.6(2) pm, a = 94.791(5)1, b = 98.229(5)1, g = 91.873(6)1, R 1 /wR 2 (I 0 4 2s(I 0 )) = 0.0264/0.0684). In the crystal structure, the M 2+ ions (Mn 2+ , Fe 2+ and Co 2+ ) are in octahedral oxygen coordination of three monodentate disulfonate groups and three NMP molecules.The disulfonate groups link the metal ions into infinite layers. Thermoanalytical investigations showed that the desolvation of the compounds occurred in a temperature range between 50 1C and 330 1C. The solvent free sulfonates showed remarkable high stabilities up to nearly 500 1C. The thermal behaviour was investigated by DSC/TG measurements and X-ray powder diffraction.

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Cocrystals, Coamorphous Phases and Coordination Complexes of γ‐ andε‐Lactams

Hall¹,

Chambers²,

Musa³

et al. 2022

Handbook of Pyrrolidone and Caprolactam Based Materials

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Crystal structure of iron(II)-benzenedisulfonate-triaqua-bis(Nmethylpyrrolidone), Fe(BDS)(H2O)3(NMP)2, C16H28FeN2O11S2

Cited by 3 publications

References 1 publication

Cocrystals, Coamorphous Phases and Coordination Complexes of γ‐ andε‐Lactams

Cocrystals, Coamorphous Phases and Coordination Complexes of γ‐ andε‐Lactams

1,4-Benzenedisulfonic acid (H₂BDS) as terephthalic acid analogue for the preparation of coordination polymers: the examples of M(BDS)(NMP)₃(M = Mn, Fe, Co; NMP = N-methylpyrrolidone)

Cocrystals, Coamorphous Phases and Coordination Complexes of γ‐ andε‐Lactams

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Crystal structure of iron(II)-benzenedisulfonate-triaqua-bis(Nmethylpyrrolidone), Fe(BDS)(H2O)3(NMP)2, C16H28FeN2O11S2

Cited by 3 publications

References 1 publication

Cocrystals, Coamorphous Phases and Coordination Complexes of γ‐ andε‐Lactams

Cocrystals, Coamorphous Phases and Coordination Complexes of γ‐ andε‐Lactams

1,4-Benzenedisulfonic acid (H2BDS) as terephthalic acid analogue for the preparation of coordination polymers: the examples of M(BDS)(NMP)3(M = Mn, Fe, Co; NMP = N-methylpyrrolidone)

Cocrystals, Coamorphous Phases and Coordination Complexes of γ‐ andε‐Lactams

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1,4-Benzenedisulfonic acid (H₂BDS) as terephthalic acid analogue for the preparation of coordination polymers: the examples of M(BDS)(NMP)₃(M = Mn, Fe, Co; NMP = N-methylpyrrolidone)