Synthesis and X-ray crystal structure of three polyazamacrocycles having sulfonate pendant groups: Piperazinyl-monomethanesulfonic acid, sodium hydrogen 1,4,7-triazacyclononane-N,N′-di(methanesulfonate) and 1,4,7,10-tetraazacyclododecane-N,N′-di(methanesulfonic acid)

Jeroen van Westrenen; A. Dean Sherry; Won Dae Kim; Anne E. Vivian; Duane C. Hrncir

doi:10.1007/BF01195736

Synthesis and X-ray crystal structure of three polyazamacrocycles having sulfonate pendant groups: Piperazinyl-monomethanesulfonic acid, sodium hydrogen 1,4,7-triazacyclononane-N,N′-di(methanesulfonate) and 1,4,7,10-tetraazacyclododecane-N,N′-di(methanesulfonic acid)

Jeroen van Westrenen, A. Dean Sherry, Won Dae Kim, Anne E. Vivian, Duane C. Hrncir

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Abstract

C₅H₁₀N₂O₃S, 1, monoclinic C2/c, a=17.545(5), b=6.822(8), c=13.928(2), β=108.36(7), Z=8, Mo Kα, λ=0.7107 Å, μ=3.56cm^-1, R=0.061, R_w=0.099. C₈H₁₆N₃O₆S₂Na·2H₂O, 2, orthorhombic Pna2₁, a=17.964(8), b=10.157(1), c=8.263(4), Z=4, Mo Kα, λ=0.7107 Å, μ=4.07 cm^-1, R=0.040, R_w=0.043. C₁₀H₂₀N₄O₆S₂·2H₂O, 3, monoclinic P2₁/n, a=9.142(9), b=13.576(7), c=14.028(8), β=94.096(8), Z=4, Mo Kα, λ=0.7107 Å, μ=3.37 cm^-1, R=0.063, R_w=0.074. Compounds 1, 2, and 3 were prepared from the pH-dependent sulfomethylation of the di- and polyazamacrocycles.

Original language	English (US)
Pages (from-to)	885-890
Number of pages	6
Journal	Journal of Crystallographic and Spectroscopic Research
Volume	23
Issue number	11
DOIs	https://doi.org/10.1007/BF01195736
State	Published - Nov 1993

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Structural Biology
Condensed Matter Physics
Spectroscopy

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van Westrenen, J., Dean Sherry, A., Kim, W. D., Vivian, A. E., & Hrncir, D. C. (1993). Synthesis and X-ray crystal structure of three polyazamacrocycles having sulfonate pendant groups: Piperazinyl-monomethanesulfonic acid, sodium hydrogen 1,4,7-triazacyclononane-N,N′-di(methanesulfonate) and 1,4,7,10-tetraazacyclododecane-N,N′-di(methanesulfonic acid). Journal of Crystallographic and Spectroscopic Research, 23(11), 885-890. https://doi.org/10.1007/BF01195736

Synthesis and X-ray crystal structure of three polyazamacrocycles having sulfonate pendant groups: Piperazinyl-monomethanesulfonic acid, sodium hydrogen 1,4,7-triazacyclononane-N,N′-di(methanesulfonate) and 1,4,7,10-tetraazacyclododecane-N,N′-di(methanesulfonic acid). / van Westrenen, Jeroen; Dean Sherry, A.; Kim, Won Dae et al.
In: Journal of Crystallographic and Spectroscopic Research, Vol. 23, No. 11, 11.1993, p. 885-890.

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

van Westrenen, J, Dean Sherry, A, Kim, WD, Vivian, AE & Hrncir, DC 1993, 'Synthesis and X-ray crystal structure of three polyazamacrocycles having sulfonate pendant groups: Piperazinyl-monomethanesulfonic acid, sodium hydrogen 1,4,7-triazacyclononane-N,N′-di(methanesulfonate) and 1,4,7,10-tetraazacyclododecane-N,N′-di(methanesulfonic acid)', Journal of Crystallographic and Spectroscopic Research, vol. 23, no. 11, pp. 885-890. https://doi.org/10.1007/BF01195736

van Westrenen J, Dean Sherry A, Kim WD, Vivian AE, Hrncir DC. Synthesis and X-ray crystal structure of three polyazamacrocycles having sulfonate pendant groups: Piperazinyl-monomethanesulfonic acid, sodium hydrogen 1,4,7-triazacyclononane-N,N′-di(methanesulfonate) and 1,4,7,10-tetraazacyclododecane-N,N′-di(methanesulfonic acid). Journal of Crystallographic and Spectroscopic Research. 1993 Nov;23(11):885-890. doi: 10.1007/BF01195736

van Westrenen, Jeroen ; Dean Sherry, A. ; Kim, Won Dae et al. / Synthesis and X-ray crystal structure of three polyazamacrocycles having sulfonate pendant groups : Piperazinyl-monomethanesulfonic acid, sodium hydrogen 1,4,7-triazacyclononane-N,N′-di(methanesulfonate) and 1,4,7,10-tetraazacyclododecane-N,N′-di(methanesulfonic acid). In: Journal of Crystallographic and Spectroscopic Research. 1993 ; Vol. 23, No. 11. pp. 885-890.

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title = "Synthesis and X-ray crystal structure of three polyazamacrocycles having sulfonate pendant groups: Piperazinyl-monomethanesulfonic acid, sodium hydrogen 1,4,7-triazacyclononane-N,N′-di(methanesulfonate) and 1,4,7,10-tetraazacyclododecane-N,N′-di(methanesulfonic acid)",

abstract = "C5H10N2O3S, 1, monoclinic C2/c, a=17.545(5), b=6.822(8), c=13.928(2), β=108.36(7), Z=8, Mo Kα, λ=0.7107 {\AA}, μ=3.56cm-1, R=0.061, Rw=0.099. C8H16N3O6S2Na·2H2O, 2, orthorhombic Pna21, a=17.964(8), b=10.157(1), c=8.263(4), Z=4, Mo Kα, λ=0.7107 {\AA}, μ=4.07 cm-1, R=0.040, Rw=0.043. C10H20N4O6S2·2H2O, 3, monoclinic P21/n, a=9.142(9), b=13.576(7), c=14.028(8), β=94.096(8), Z=4, Mo Kα, λ=0.7107 {\AA}, μ=3.37 cm-1, R=0.063, Rw=0.074. Compounds 1, 2, and 3 were prepared from the pH-dependent sulfomethylation of the di- and polyazamacrocycles.",

author = "{van Westrenen}, Jeroen and {Dean Sherry}, A. and Kim, {Won Dae} and Vivian, {Anne E.} and Hrncir, {Duane C.}",

year = "1993",

month = nov,

doi = "10.1007/BF01195736",

language = "English (US)",

volume = "23",

pages = "885--890",

journal = "Journal of Crystallographic and Spectroscopic Research",

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T1 - Synthesis and X-ray crystal structure of three polyazamacrocycles having sulfonate pendant groups

T2 - Piperazinyl-monomethanesulfonic acid, sodium hydrogen 1,4,7-triazacyclononane-N,N′-di(methanesulfonate) and 1,4,7,10-tetraazacyclododecane-N,N′-di(methanesulfonic acid)

AU - van Westrenen, Jeroen

AU - Dean Sherry, A.

AU - Kim, Won Dae

AU - Vivian, Anne E.

AU - Hrncir, Duane C.

PY - 1993/11

Y1 - 1993/11

N2 - C5H10N2O3S, 1, monoclinic C2/c, a=17.545(5), b=6.822(8), c=13.928(2), β=108.36(7), Z=8, Mo Kα, λ=0.7107 Å, μ=3.56cm-1, R=0.061, Rw=0.099. C8H16N3O6S2Na·2H2O, 2, orthorhombic Pna21, a=17.964(8), b=10.157(1), c=8.263(4), Z=4, Mo Kα, λ=0.7107 Å, μ=4.07 cm-1, R=0.040, Rw=0.043. C10H20N4O6S2·2H2O, 3, monoclinic P21/n, a=9.142(9), b=13.576(7), c=14.028(8), β=94.096(8), Z=4, Mo Kα, λ=0.7107 Å, μ=3.37 cm-1, R=0.063, Rw=0.074. Compounds 1, 2, and 3 were prepared from the pH-dependent sulfomethylation of the di- and polyazamacrocycles.

AB - C5H10N2O3S, 1, monoclinic C2/c, a=17.545(5), b=6.822(8), c=13.928(2), β=108.36(7), Z=8, Mo Kα, λ=0.7107 Å, μ=3.56cm-1, R=0.061, Rw=0.099. C8H16N3O6S2Na·2H2O, 2, orthorhombic Pna21, a=17.964(8), b=10.157(1), c=8.263(4), Z=4, Mo Kα, λ=0.7107 Å, μ=4.07 cm-1, R=0.040, Rw=0.043. C10H20N4O6S2·2H2O, 3, monoclinic P21/n, a=9.142(9), b=13.576(7), c=14.028(8), β=94.096(8), Z=4, Mo Kα, λ=0.7107 Å, μ=3.37 cm-1, R=0.063, Rw=0.074. Compounds 1, 2, and 3 were prepared from the pH-dependent sulfomethylation of the di- and polyazamacrocycles.

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Synthesis and X-ray crystal structure of three polyazamacrocycles having sulfonate pendant groups: Piperazinyl-monomethanesulfonic acid, sodium hydrogen 1,4,7-triazacyclononane-N,N′-di(methanesulfonate) and 1,4,7,10-tetraazacyclododecane-N,N′-di(methanesulfonic acid)

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