Crystal and molecular structure of the triflate salt of diprotonated 1,4,8,11-tetrakis(2-hydroxyethyl)-1,4,8,11-tetraazacyclotetradecane, [C10H22N4(CH2CH2OH) 42+]-[CF3SO3-] 2: Geometry of a diprotonated octadentate ligand

Melvyn Rowen Churchill; Thomas S. Janik; K. O.Aileen Chin; Janet R. Morrow

doi:10.1007/BF02575980

Crystal and molecular structure of the triflate salt of diprotonated 1,4,8,11-tetrakis(2-hydroxyethyl)-1,4,8,11-tetraazacyclotetradecane, [C₁₀H₂₂N₄(CH₂CH₂OH) ₄²⁺]-[CF₃SO₃^-] ₂: Geometry of a diprotonated octadentate ligand

Melvyn Rowen Churchill
, Thomas S. Janik
, K. O.Aileen Chin
, Janet R. Morrow

Chemistry

University at Buffalo

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

1 Scopus citations

Abstract

The title complex crystallizes in the centrosymmetric monoclinic space group P2₁/n with Z = 2. The cation is the diprotonated derivative of the neutral octadentate macrocyclic ligand C₁₀H₂₀N₄(CH₂CH₂OH) ₄; the two protonated nitrogen atoms are as far apart as is possible in the 14-membered ring (1- and 8-positions) so as to minimize electrostatic repulsions. Each of the [C₁₀H₂₂N₄(CH₂CH₂OH) ₄²⁺] cations is involved in hydrogen bonding (through the four hydroxy groups) to oxygen atoms on four different peripheral [CF₃SO₃^-] anions.

Original language	English
Pages (from-to)	319-324
Number of pages	6
Journal	Journal of Chemical Crystallography
Volume	27
Issue number	5
DOIs	https://doi.org/10.1007/BF02575980
State	Published - May 1997

Keywords

14-membered ring
Crystal structure
Hydrogen bonding
Octadentate ligand
Protonated ligand
Tetraazacyclotetradecane

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10.1007/BF02575980

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Churchill, M. R., Janik, T. S., Chin, K. O. A., & Morrow, J. R. (1997). Crystal and molecular structure of the triflate salt of diprotonated 1,4,8,11-tetrakis(2-hydroxyethyl)-1,4,8,11-tetraazacyclotetradecane, [C₁₀H₂₂N₄(CH₂CH₂OH) ₄²⁺]-[CF₃SO₃^-] ₂: Geometry of a diprotonated octadentate ligand. Journal of Chemical Crystallography, 27(5), 319-324. https://doi.org/10.1007/BF02575980

Churchill, Melvyn Rowen ; Janik, Thomas S. ; Chin, K. O.Aileen et al. / Crystal and molecular structure of the triflate salt of diprotonated 1,4,8,11-tetrakis(2-hydroxyethyl)-1,4,8,11-tetraazacyclotetradecane, [C₁₀H₂₂N₄(CH₂CH₂OH) ₄²⁺]-[CF₃SO₃^-] ₂ : Geometry of a diprotonated octadentate ligand. In: Journal of Chemical Crystallography. 1997 ; Vol. 27, No. 5. pp. 319-324.

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title = "Crystal and molecular structure of the triflate salt of diprotonated 1,4,8,11-tetrakis(2-hydroxyethyl)-1,4,8,11-tetraazacyclotetradecane, [C10H22N4(CH2CH2OH) 42+]-[CF3SO3-] 2: Geometry of a diprotonated octadentate ligand",

abstract = "The title complex crystallizes in the centrosymmetric monoclinic space group P21/n with Z = 2. The cation is the diprotonated derivative of the neutral octadentate macrocyclic ligand C10H20N4(CH2CH2OH) 4; the two protonated nitrogen atoms are as far apart as is possible in the 14-membered ring (1- and 8-positions) so as to minimize electrostatic repulsions. Each of the [C10H22N4(CH2CH2OH) 42+] cations is involved in hydrogen bonding (through the four hydroxy groups) to oxygen atoms on four different peripheral [CF3SO3-] anions.",

keywords = "14-membered ring, Crystal structure, Hydrogen bonding, Octadentate ligand, Protonated ligand, Tetraazacyclotetradecane",

author = "Churchill, \{Melvyn Rowen\} and Janik, \{Thomas S.\} and Chin, \{K. O.Aileen\} and Morrow, \{Janet R.\}",

year = "1997",

month = may,

doi = "10.1007/BF02575980",

language = "English",

volume = "27",

pages = "319--324",

journal = "Journal of Chemical Crystallography",

issn = "1074-1542",

publisher = "Springer",

number = "5",

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Churchill, MR, Janik, TS, Chin, KOA & Morrow, JR 1997, 'Crystal and molecular structure of the triflate salt of diprotonated 1,4,8,11-tetrakis(2-hydroxyethyl)-1,4,8,11-tetraazacyclotetradecane, [C₁₀H₂₂N₄(CH₂CH₂OH) ₄²⁺]-[CF₃SO₃^-] ₂: Geometry of a diprotonated octadentate ligand', Journal of Chemical Crystallography, vol. 27, no. 5, pp. 319-324. https://doi.org/10.1007/BF02575980

Crystal and molecular structure of the triflate salt of diprotonated 1,4,8,11-tetrakis(2-hydroxyethyl)-1,4,8,11-tetraazacyclotetradecane, [C₁₀H₂₂N₄(CH₂CH₂OH) ₄²⁺]-[CF₃SO₃^-] ₂: Geometry of a diprotonated octadentate ligand. / Churchill, Melvyn Rowen; Janik, Thomas S.; Chin, K. O.Aileen et al.
In: Journal of Chemical Crystallography, Vol. 27, No. 5, 05.1997, p. 319-324.

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

TY - JOUR

T1 - Crystal and molecular structure of the triflate salt of diprotonated 1,4,8,11-tetrakis(2-hydroxyethyl)-1,4,8,11-tetraazacyclotetradecane, [C10H22N4(CH2CH2OH) 42+]-[CF3SO3-] 2

T2 - Geometry of a diprotonated octadentate ligand

AU - Churchill, Melvyn Rowen

AU - Janik, Thomas S.

AU - Chin, K. O.Aileen

AU - Morrow, Janet R.

PY - 1997/5

Y1 - 1997/5

N2 - The title complex crystallizes in the centrosymmetric monoclinic space group P21/n with Z = 2. The cation is the diprotonated derivative of the neutral octadentate macrocyclic ligand C10H20N4(CH2CH2OH) 4; the two protonated nitrogen atoms are as far apart as is possible in the 14-membered ring (1- and 8-positions) so as to minimize electrostatic repulsions. Each of the [C10H22N4(CH2CH2OH) 42+] cations is involved in hydrogen bonding (through the four hydroxy groups) to oxygen atoms on four different peripheral [CF3SO3-] anions.

AB - The title complex crystallizes in the centrosymmetric monoclinic space group P21/n with Z = 2. The cation is the diprotonated derivative of the neutral octadentate macrocyclic ligand C10H20N4(CH2CH2OH) 4; the two protonated nitrogen atoms are as far apart as is possible in the 14-membered ring (1- and 8-positions) so as to minimize electrostatic repulsions. Each of the [C10H22N4(CH2CH2OH) 42+] cations is involved in hydrogen bonding (through the four hydroxy groups) to oxygen atoms on four different peripheral [CF3SO3-] anions.

KW - 14-membered ring

KW - Crystal structure

KW - Hydrogen bonding

KW - Octadentate ligand

KW - Protonated ligand

KW - Tetraazacyclotetradecane

UR - https://www.scopus.com/pages/publications/0031476983

U2 - 10.1007/BF02575980

DO - 10.1007/BF02575980

M3 - Article

SN - 1074-1542

VL - 27

SP - 319

EP - 324

JO - Journal of Chemical Crystallography

JF - Journal of Chemical Crystallography

IS - 5

ER -