Aqua-(μ-cone-26,28-dibutoxy-25,27-bis-{N-[5-(dimethylamino) -naphthalene-1-sulfon-yl]carbamoylmethoxy}-5,11,17,23-tetra-kis-(1, 1-dimethylethyl)calix[4]arene(2-))disodium acetonitrile tetra-solvate

Pogisego Dinake, Polina E. Prokhorova, Vladimir S. Talanov, Ray J. Butcher, Galina G. Talanova

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2 Citations (Scopus)

Abstract

The structure of the title complex, [Na 2(C 80H 98N 4O 10S 2)(H 2O)] ·4CH 3CN, obtained after crystallization from aceto-nitrile, contains two formula units in the asymmetric unit (Z′ = 2) and an estimated four mol-ecules of acetonitrile per calixarene moiety. It is unusual for two Na + ions to occupy the lower rims of the cone calix[4]arene, as in this case, with one Na + ion forming two O Na + coordinate bonds with the two but-oxy groups and four such bonds with the two N-dansyl carboxamide groups, forming six dative bonds between Na + and O. On the other hand, the other Na + ion forms only five ONa + coordinate bonds on the far end of the calix[4]arene lower rim, bringing the two dansyl groups in close proximity with each other. There also appears to be an ONa + coordination coming from a dangling water mol-ecule. The structure contained both resolved and poorly resolved solvent mol-ecules. The latter were treated using the SQUEEZE routine in PLATON [Spek (2009). Acta Cryst. D65, 148-155].

Original languageEnglish
JournalActa Crystallographica Section E: Structure Reports Online
Volume68
Issue number4
DOIs
Publication statusPublished - Apr 1 2012

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Naphthalene
Acetonitrile
naphthalene
acetonitrile
Cones
cones
Ions
rims
Calixarenes
Nitriles
ions
nitriles
Crystallization
proximity
crystallization
Water
water
calix(4)arene

All Science Journal Classification (ASJC) codes

  • Condensed Matter Physics
  • Materials Science(all)
  • Chemistry(all)

Cite this

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title = "Aqua-(μ-cone-26,28-dibutoxy-25,27-bis-{N-[5-(dimethylamino) -naphthalene-1-sulfon-yl]carbamoylmethoxy}-5,11,17,23-tetra-kis-(1, 1-dimethylethyl)calix[4]arene(2-))disodium acetonitrile tetra-solvate",
abstract = "The structure of the title complex, [Na 2(C 80H 98N 4O 10S 2)(H 2O)] ·4CH 3CN, obtained after crystallization from aceto-nitrile, contains two formula units in the asymmetric unit (Z′ = 2) and an estimated four mol-ecules of acetonitrile per calixarene moiety. It is unusual for two Na + ions to occupy the lower rims of the cone calix[4]arene, as in this case, with one Na + ion forming two O Na + coordinate bonds with the two but-oxy groups and four such bonds with the two N-dansyl carboxamide groups, forming six dative bonds between Na + and O. On the other hand, the other Na + ion forms only five ONa + coordinate bonds on the far end of the calix[4]arene lower rim, bringing the two dansyl groups in close proximity with each other. There also appears to be an ONa + coordination coming from a dangling water mol-ecule. The structure contained both resolved and poorly resolved solvent mol-ecules. The latter were treated using the SQUEEZE routine in PLATON [Spek (2009). Acta Cryst. D65, 148-155].",
author = "Pogisego Dinake and Prokhorova, {Polina E.} and Talanov, {Vladimir S.} and Butcher, {Ray J.} and Talanova, {Galina G.}",
year = "2012",
month = "4",
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doi = "10.1107/S1600536812010768",
language = "English",
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journal = "Acta Crystallographica Section E: Structure Reports Online",
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TY - JOUR

T1 - Aqua-(μ-cone-26,28-dibutoxy-25,27-bis-{N-[5-(dimethylamino) -naphthalene-1-sulfon-yl]carbamoylmethoxy}-5,11,17,23-tetra-kis-(1, 1-dimethylethyl)calix[4]arene(2-))disodium acetonitrile tetra-solvate

AU - Dinake, Pogisego

AU - Prokhorova, Polina E.

AU - Talanov, Vladimir S.

AU - Butcher, Ray J.

AU - Talanova, Galina G.

PY - 2012/4/1

Y1 - 2012/4/1

N2 - The structure of the title complex, [Na 2(C 80H 98N 4O 10S 2)(H 2O)] ·4CH 3CN, obtained after crystallization from aceto-nitrile, contains two formula units in the asymmetric unit (Z′ = 2) and an estimated four mol-ecules of acetonitrile per calixarene moiety. It is unusual for two Na + ions to occupy the lower rims of the cone calix[4]arene, as in this case, with one Na + ion forming two O Na + coordinate bonds with the two but-oxy groups and four such bonds with the two N-dansyl carboxamide groups, forming six dative bonds between Na + and O. On the other hand, the other Na + ion forms only five ONa + coordinate bonds on the far end of the calix[4]arene lower rim, bringing the two dansyl groups in close proximity with each other. There also appears to be an ONa + coordination coming from a dangling water mol-ecule. The structure contained both resolved and poorly resolved solvent mol-ecules. The latter were treated using the SQUEEZE routine in PLATON [Spek (2009). Acta Cryst. D65, 148-155].

AB - The structure of the title complex, [Na 2(C 80H 98N 4O 10S 2)(H 2O)] ·4CH 3CN, obtained after crystallization from aceto-nitrile, contains two formula units in the asymmetric unit (Z′ = 2) and an estimated four mol-ecules of acetonitrile per calixarene moiety. It is unusual for two Na + ions to occupy the lower rims of the cone calix[4]arene, as in this case, with one Na + ion forming two O Na + coordinate bonds with the two but-oxy groups and four such bonds with the two N-dansyl carboxamide groups, forming six dative bonds between Na + and O. On the other hand, the other Na + ion forms only five ONa + coordinate bonds on the far end of the calix[4]arene lower rim, bringing the two dansyl groups in close proximity with each other. There also appears to be an ONa + coordination coming from a dangling water mol-ecule. The structure contained both resolved and poorly resolved solvent mol-ecules. The latter were treated using the SQUEEZE routine in PLATON [Spek (2009). Acta Cryst. D65, 148-155].

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