The crystal and molecular structure of N-(1,2,3,5-tetramethyl-4-pyrazolio)toluene-p-sulphonamidate, C14H19N3O2S, a mesoionic pyrazole

Lindley, P. F.; Mahmoud, M. M.; Dodd, Carole M.; Smith, C. H.; Boyd, G. V.; Norris, Timothy

doi:10.1107/s056774087700795x

Cited by 9 publications

(2 citation statements)

References 16 publications

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“…Financial support by the Science Project of the Hebei Education Department (grant No. 2005350) (Heren et al, 2006;Hannan & Talukdar, 1992) and in zwitterionic forms (Amendola et al, 2005.;Lindley et al, 1977;Schaumann et al, 1975).…”

Section: Data Collectionmentioning

confidence: 99%

A zwitterionic form ofN-(4-pyridyl)benzenesulfonamide

Yu¹,

Chen²,

Li³

et al. 2007

Acta Cryst E

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Key indicators: single-crystal X-ray study; T = 294 K; mean (C-C) = 0.003 Å; disorder in main residue; R factor = 0.044; wR factor = 0.124; data-to-parameter ratio = 11.9.The title compound, C 11 H 10 N 2 O 2 S, crystallizes as a zwitterionic tautomer, N-(4-pyridinio)benzenesulfonamidate, with the pyridine N atom protonated and the amide N atom deprotonated. There is evidence for conjugation between the anionic N atom and the pyridinium ring. In the crystal structure, intermolecular N-HÁ Á ÁN hydrogen bonds link the molecules into chains along the c axis. Weak C-HÁ Á ÁO and C-HÁ Á Á interactions further stabilize the structure. organic compounds o3720 # 2007 International Union of Crystallography

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Section: Data Collectionmentioning

confidence: 99%

A zwitterionic form ofN-(4-pyridyl)benzenesulfonamide

Yu¹,

Chen²,

Li³

et al. 2007

Acta Cryst E

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“…For zwitterionic forms of N-arylbenzenesulfonamides, see: Yu et al (2007); Amendola et al(2005); Lindley et al (1977); Schaumann et al (1975). = 88.741 (6) V = 1266.3 (8) Å 3 Z = 4 Mo K radiation = 0.27 mm À1 T = 294 (2) K 0.30 Â 0.24 Â 0.20 mm…”

Section: Related Literaturementioning

confidence: 99%

2-Nitro-N-(4-pyridinio)benzenesulfonamidate

Yang

Liu

2007

Acta Cryst E

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Key indicators: single-crystal X-ray study; T = 294 K; mean (C-C) = 0.007 Å; R factor = 0.058; wR factor = 0.174; data-to-parameter ratio = 12.5.The title compound, C 11 H 9 N 3 O 4 S, crystallizes with two molecules in the asymmetric unit; each molecule exists as a zwitterion in the solid state. Intermolecular N-HÁ Á ÁN hydrogen bonds link the molecules into chains. Weak C-HÁ Á ÁO interactions further stabilize the crystal structure. Related literature ExperimentalCrystal data Data collectionBruker SMART 1K CCD areadetector diffractometer Absorption correction: multi-scan (SADABS; Sheldrick, 1996) T min = 0.924, T max = 0.948 6351 measured reflections 4357 independent reflections 2918 reflections with I > 2(I) R int = 0.026

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Structural studies on mesoionic 1,2,3,4‐thiatriazolo‐5‐aminides and 1,2,3,4‐thiatriazolo‐5‐methylides by nitrogen and carbon NMR

Jaźwiński

Stefaniak

1993

Magnetic Reson in Chemistry

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"N, "N, "C and 'H NMR data were used for the structural analysis of seven 1,2,3,4thiatriazoies with various exocyclic group Measurements at various temperatures were carried out in order to study the behaviour of exocyclic groups. Some lSN-iabelled compounds were prepared to assist in tbe interpretation of the "N NMR spectra. The resuits suggest that the investigated compounds exist in the cyclic structure. Three of the investigated compounds have not been previousiy synthesized.

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The crystal and molecular structure of N-(1,2,3,5-tetramethyl-4-pyrazolio)toluene-p-sulphonamidate, C₁₄H₁₉N₃O₂S, a mesoionic pyrazole

Cited by 9 publications

References 16 publications

A zwitterionic form ofN-(4-pyridyl)benzenesulfonamide

A zwitterionic form ofN-(4-pyridyl)benzenesulfonamide

2-Nitro-N-(4-pyridinio)benzenesulfonamidate

Structural studies on mesoionic 1,2,3,4‐thiatriazolo‐5‐aminides and 1,2,3,4‐thiatriazolo‐5‐methylides by nitrogen and carbon NMR

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