Hydrogen-bonded sheets in the 1:1 salt of tet-b and trimesic acid

C J  Burchell; G  Ferguson; A J  Lough; C  Glidewell

doi:10.1107/S0108270100019399

Hydrogen-bonded sheets in the 1:1 salt of tet-b and trimesic acid

C J Burchell, G Ferguson, A J Lough, C Glidewell

School of Chemistry

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

Abstract

Tet-b (racemic 5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane, C16H36N4) and trimesic acid (1,3,5-benzene-tricarboxylic acid, C9H6O6) form a salt partially solvated by both water and methanol, i.e. 5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane-1,3,5-benzenetricarboxylic acid-methanol-water (1/1/0.78/1.12), C16H38N42+.C9H4O62-. -0.78CH(4)O .1.12H(2)O. The anions are linked by O-H . . .O hydrogen bonds [O . . .O 2.442 (4) and 2.458 (4) Angstrom; O-H . . .O 170 and 171 degrees] into zigzag chains; orientationally disordered cations are linked to the anion chains by means of NDH . . .O hydrogen bonds [major orientation: N . . .O 2.695 (3)-3.071 (4) Angstrom, N-H . . .O 148-179 degrees; minor orientation: N . . .O 2.75 (2)-3.34 (2) Angstrom, N-H . . .O 147-170 degrees] and link the chains into sheets. The solvent molecules are all disordered, but appear to play no significant structural role apart from space filling.

Original language	English
Pages (from-to)	311-314
Number of pages	4
Journal	Acta Crystallographica Section C: Crystal Structure Communications
Volume	57
Issue number	3
DOIs	https://doi.org/10.1107/S0108270100019399
Publication status	Published - Mar 2001

Keywords

SUPRAMOLECULAR STRUCTURES
DIMENSIONS

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10.1107/S0108270100019399

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title = "Hydrogen-bonded sheets in the 1:1 salt of tet-b and trimesic acid",

abstract = "Tet-b (racemic 5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane, C16H36N4) and trimesic acid (1,3,5-benzene-tricarboxylic acid, C9H6O6) form a salt partially solvated by both water and methanol, i.e. 5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane-1,3,5-benzenetricarboxylic acid-methanol-water (1/1/0.78/1.12), C16H38N42+.C9H4O62-. -0.78CH(4)O .1.12H(2)O. The anions are linked by O-H . . .O hydrogen bonds [O . . .O 2.442 (4) and 2.458 (4) Angstrom; O-H . . .O 170 and 171 degrees] into zigzag chains; orientationally disordered cations are linked to the anion chains by means of NDH . . .O hydrogen bonds [major orientation: N . . .O 2.695 (3)-3.071 (4) Angstrom, N-H . . .O 148-179 degrees; minor orientation: N . . .O 2.75 (2)-3.34 (2) Angstrom, N-H . . .O 147-170 degrees] and link the chains into sheets. The solvent molecules are all disordered, but appear to play no significant structural role apart from space filling.",

keywords = "SUPRAMOLECULAR STRUCTURES, DIMENSIONS",

author = "Burchell, \{C J\} and G Ferguson and Lough, \{A J\} and C Glidewell",

year = "2001",

month = mar,

doi = "10.1107/S0108270100019399",

language = "English",

volume = "57",

pages = "311--314",

journal = "Acta Crystallographica Section C: Crystal Structure Communications",

issn = "0108-2701",

publisher = "International Union of Crystallography",

number = "3",

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T1 - Hydrogen-bonded sheets in the 1:1 salt of tet-b and trimesic acid

AU - Burchell, C J

AU - Ferguson, G

AU - Lough, A J

AU - Glidewell, C

PY - 2001/3

Y1 - 2001/3

N2 - Tet-b (racemic 5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane, C16H36N4) and trimesic acid (1,3,5-benzene-tricarboxylic acid, C9H6O6) form a salt partially solvated by both water and methanol, i.e. 5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane-1,3,5-benzenetricarboxylic acid-methanol-water (1/1/0.78/1.12), C16H38N42+.C9H4O62-. -0.78CH(4)O .1.12H(2)O. The anions are linked by O-H . . .O hydrogen bonds [O . . .O 2.442 (4) and 2.458 (4) Angstrom; O-H . . .O 170 and 171 degrees] into zigzag chains; orientationally disordered cations are linked to the anion chains by means of NDH . . .O hydrogen bonds [major orientation: N . . .O 2.695 (3)-3.071 (4) Angstrom, N-H . . .O 148-179 degrees; minor orientation: N . . .O 2.75 (2)-3.34 (2) Angstrom, N-H . . .O 147-170 degrees] and link the chains into sheets. The solvent molecules are all disordered, but appear to play no significant structural role apart from space filling.

AB - Tet-b (racemic 5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane, C16H36N4) and trimesic acid (1,3,5-benzene-tricarboxylic acid, C9H6O6) form a salt partially solvated by both water and methanol, i.e. 5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane-1,3,5-benzenetricarboxylic acid-methanol-water (1/1/0.78/1.12), C16H38N42+.C9H4O62-. -0.78CH(4)O .1.12H(2)O. The anions are linked by O-H . . .O hydrogen bonds [O . . .O 2.442 (4) and 2.458 (4) Angstrom; O-H . . .O 170 and 171 degrees] into zigzag chains; orientationally disordered cations are linked to the anion chains by means of NDH . . .O hydrogen bonds [major orientation: N . . .O 2.695 (3)-3.071 (4) Angstrom, N-H . . .O 148-179 degrees; minor orientation: N . . .O 2.75 (2)-3.34 (2) Angstrom, N-H . . .O 147-170 degrees] and link the chains into sheets. The solvent molecules are all disordered, but appear to play no significant structural role apart from space filling.

KW - SUPRAMOLECULAR STRUCTURES

KW - DIMENSIONS

UR - https://www.scopus.com/pages/publications/0035270628

U2 - 10.1107/S0108270100019399

DO - 10.1107/S0108270100019399

M3 - Article

SN - 0108-2701

VL - 57

SP - 311

EP - 314

JO - Acta Crystallographica Section C: Crystal Structure Communications

JF - Acta Crystallographica Section C: Crystal Structure Communications

IS - 3

ER -

Hydrogen-bonded sheets in the 1:1 salt of tet-b and trimesic acid

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Keywords

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