Isolated molecules in 2-ethylsulfanyl-7-methyl-4-(4-methylphenyl)pyrazolo-[1,5-a][1,3,5]triazine and hydrogen-bonded sheets of R-2(2)(10), R-2(2)(16), R-4(4)(22) and R-4(4)(24) rings in 2-ethyl-sulfanyl-7-methyl-4-(4-nitrophenyl)-pyrazolo[1,5-a][1,3,5]triazine

H  Insuasty; M  Estrada; J  Cobo; J N  Low; C  Glidewell

doi:10.1107/S0108270106002952

Isolated molecules in 2-ethylsulfanyl-7-methyl-4-(4-methylphenyl)pyrazolo-[1,5-a][1,3,5]triazine and hydrogen-bonded sheets of R-2(2)(10), R-2(2)(16), R-4(4)(22) and R-4(4)(24) rings in 2-ethyl-sulfanyl-7-methyl-4-(4-nitrophenyl)-pyrazolo[1,5-a][1,3,5]triazine

H Insuasty, M Estrada, J Cobo, J N Low, C Glidewell

School of Chemistry

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

Abstract

In each of 2-ethylsulfanyl-7-methyl-4-(4-methylphenyl)pyrazolo[1,5-a][1,3,5]triazine, C15H16N4S, (I), and 2-ethylsulfanyl-7-methyl-4-(4-nitrophenyl)pyrazolo[1,5-a][1,3,5]triazine, C14H13N5O2S, (II), there is significant bond fixation in the heterocyclic component. While there are no direction-specific intermolecular interactions in the structure of (I), the molecules of ( II) are linked by a combination of C-H center dot center dot center dot O and C-H center dot center dot center dot S hydrogen bonds into sheets containing four types of ring, all centrosymmetric.

Original language	English
Number of pages	3
Journal	Acta Crystallographica Section C-Crystal Structure Communications
Volume	62
DOIs	https://doi.org/10.1107/S0108270106002952
Publication status	Published - Mar 2006

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Insuasty, H., Estrada, M., Cobo, J., Low, J. N., & Glidewell, C. (2006). Isolated molecules in 2-ethylsulfanyl-7-methyl-4-(4-methylphenyl)pyrazolo-[1,5-a][1,3,5]triazine and hydrogen-bonded sheets of R-2(2)(10), R-2(2)(16), R-4(4)(22) and R-4(4)(24) rings in 2-ethyl-sulfanyl-7-methyl-4-(4-nitrophenyl)-pyrazolo[1,5-a][1,3,5]triazine. Acta Crystallographica Section C-Crystal Structure Communications, 62. https://doi.org/10.1107/S0108270106002952

Insuasty, H ; Estrada, M ; Cobo, J et al. / Isolated molecules in 2-ethylsulfanyl-7-methyl-4-(4-methylphenyl)pyrazolo-[1,5-a][1,3,5]triazine and hydrogen-bonded sheets of R-2(2)(10), R-2(2)(16), R-4(4)(22) and R-4(4)(24) rings in 2-ethyl-sulfanyl-7-methyl-4-(4-nitrophenyl)-pyrazolo[1,5-a][1,3,5]triazine. In: Acta Crystallographica Section C-Crystal Structure Communications. 2006 ; Vol. 62.

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title = "Isolated molecules in 2-ethylsulfanyl-7-methyl-4-(4-methylphenyl)pyrazolo-[1,5-a][1,3,5]triazine and hydrogen-bonded sheets of R-2(2)(10), R-2(2)(16), R-4(4)(22) and R-4(4)(24) rings in 2-ethyl-sulfanyl-7-methyl-4-(4-nitrophenyl)-pyrazolo[1,5-a][1,3,5]triazine",

abstract = "In each of 2-ethylsulfanyl-7-methyl-4-(4-methylphenyl)pyrazolo[1,5-a][1,3,5]triazine, C15H16N4S, (I), and 2-ethylsulfanyl-7-methyl-4-(4-nitrophenyl)pyrazolo[1,5-a][1,3,5]triazine, C14H13N5O2S, (II), there is significant bond fixation in the heterocyclic component. While there are no direction-specific intermolecular interactions in the structure of (I), the molecules of ( II) are linked by a combination of C-H center dot center dot center dot O and C-H center dot center dot center dot S hydrogen bonds into sheets containing four types of ring, all centrosymmetric.",

keywords = "RECEPTOR ANTAGONIST",

author = "H Insuasty and M Estrada and J Cobo and Low, {J N} and C Glidewell",

year = "2006",

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doi = "10.1107/S0108270106002952",

language = "English",

volume = "62",

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

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Insuasty, H, Estrada, M, Cobo, J, Low, JN & Glidewell, C 2006, 'Isolated molecules in 2-ethylsulfanyl-7-methyl-4-(4-methylphenyl)pyrazolo-[1,5-a][1,3,5]triazine and hydrogen-bonded sheets of R-2(2)(10), R-2(2)(16), R-4(4)(22) and R-4(4)(24) rings in 2-ethyl-sulfanyl-7-methyl-4-(4-nitrophenyl)-pyrazolo[1,5-a][1,3,5]triazine', Acta Crystallographica Section C-Crystal Structure Communications, vol. 62. https://doi.org/10.1107/S0108270106002952

Isolated molecules in 2-ethylsulfanyl-7-methyl-4-(4-methylphenyl)pyrazolo-[1,5-a][1,3,5]triazine and hydrogen-bonded sheets of R-2(2)(10), R-2(2)(16), R-4(4)(22) and R-4(4)(24) rings in 2-ethyl-sulfanyl-7-methyl-4-(4-nitrophenyl)-pyrazolo[1,5-a][1,3,5]triazine. / Insuasty, H ; Estrada, M ; Cobo, J et al.
In: Acta Crystallographica Section C-Crystal Structure Communications, Vol. 62, 03.2006.

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

TY - JOUR

T1 - Isolated molecules in 2-ethylsulfanyl-7-methyl-4-(4-methylphenyl)pyrazolo-[1,5-a][1,3,5]triazine and hydrogen-bonded sheets of R-2(2)(10), R-2(2)(16), R-4(4)(22) and R-4(4)(24) rings in 2-ethyl-sulfanyl-7-methyl-4-(4-nitrophenyl)-pyrazolo[1,5-a][1,3,5]triazine

AU - Insuasty, H

AU - Estrada, M

AU - Cobo, J

AU - Low, J N

AU - Glidewell, C

PY - 2006/3

Y1 - 2006/3

N2 - In each of 2-ethylsulfanyl-7-methyl-4-(4-methylphenyl)pyrazolo[1,5-a][1,3,5]triazine, C15H16N4S, (I), and 2-ethylsulfanyl-7-methyl-4-(4-nitrophenyl)pyrazolo[1,5-a][1,3,5]triazine, C14H13N5O2S, (II), there is significant bond fixation in the heterocyclic component. While there are no direction-specific intermolecular interactions in the structure of (I), the molecules of ( II) are linked by a combination of C-H center dot center dot center dot O and C-H center dot center dot center dot S hydrogen bonds into sheets containing four types of ring, all centrosymmetric.

AB - In each of 2-ethylsulfanyl-7-methyl-4-(4-methylphenyl)pyrazolo[1,5-a][1,3,5]triazine, C15H16N4S, (I), and 2-ethylsulfanyl-7-methyl-4-(4-nitrophenyl)pyrazolo[1,5-a][1,3,5]triazine, C14H13N5O2S, (II), there is significant bond fixation in the heterocyclic component. While there are no direction-specific intermolecular interactions in the structure of (I), the molecules of ( II) are linked by a combination of C-H center dot center dot center dot O and C-H center dot center dot center dot S hydrogen bonds into sheets containing four types of ring, all centrosymmetric.

KW - RECEPTOR ANTAGONIST

U2 - 10.1107/S0108270106002952

DO - 10.1107/S0108270106002952

M3 - Article

SN - 1600-5759

VL - 62

JO - Acta Crystallographica Section C-Crystal Structure Communications

JF - Acta Crystallographica Section C-Crystal Structure Communications

ER -

Insuasty H, Estrada M, Cobo J, Low JN, Glidewell C. Isolated molecules in 2-ethylsulfanyl-7-methyl-4-(4-methylphenyl)pyrazolo-[1,5-a][1,3,5]triazine and hydrogen-bonded sheets of R-2(2)(10), R-2(2)(16), R-4(4)(22) and R-4(4)(24) rings in 2-ethyl-sulfanyl-7-methyl-4-(4-nitrophenyl)-pyrazolo[1,5-a][1,3,5]triazine. Acta Crystallographica Section C-Crystal Structure Communications. 2006 Mar;62. doi: 10.1107/S0108270106002952