Two isomeric reaction products: hydrogen-bonded sheets in methyl 4-(5-amino-3-phenyl-1H-pyrazol-1-yl)-3-nitrobenzoate and hydrogen-bonded chains of edge-fused rings in methyl 3-nitro-4-[(5-phenyl-1H-pyrazol-3-yl)amino] benzoate

Jaime Portilla; Ernesto G. Mata; Justo Cobo; John N. Low; Christopher Glidewell

doi:10.1107/S010827010703346X

Two isomeric reaction products: hydrogen-bonded sheets in methyl 4-(5-amino-3-phenyl-1H-pyrazol-1-yl)-3-nitrobenzoate and hydrogen-bonded chains of edge-fused rings in methyl 3-nitro-4-[(5-phenyl-1H-pyrazol-3-yl)amino] benzoate

Jaime Portilla, Ernesto G. Mata, Justo Cobo, John N. Low, Christopher Glidewell

School of Chemistry

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

Abstract

In methyl 4-(5-amino-3-phenyl-1H-pyrazol-1-yl)-3-nitrobenzoate, C17H14N4O4, the molecules are linked into complex sheets by a combination of N-H center dot center dot center dot N, N-H center dot center dot center dot O and C - H center dot center dot center dot O hydrogen bonds. In the isomeric methyl 3-nitro-4-[(5-phenyl- 1H-pyrazol-3-yl)amino] benzoate, molecules exhibit a polarized molecular-electronic structure and are linked into chains of edge-fused rings by a combination of N-H center dot center dot center dot O and C - H center dot center dot center dot O hydrogen bonds.

Original language	English
Number of pages	4
Journal	Acta Crystallographica Section C-Crystal Structure Communications
Volume	63
DOIs	https://doi.org/10.1107/S010827010703346X
Publication status	Published - Sept 2007

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Portilla, J., Mata, E. G., Cobo, J., Low, J. N., & Glidewell, C. (2007). Two isomeric reaction products: hydrogen-bonded sheets in methyl 4-(5-amino-3-phenyl-1H-pyrazol-1-yl)-3-nitrobenzoate and hydrogen-bonded chains of edge-fused rings in methyl 3-nitro-4-[(5-phenyl-1H-pyrazol-3-yl)amino] benzoate. Acta Crystallographica Section C-Crystal Structure Communications, 63. https://doi.org/10.1107/S010827010703346X

Portilla, Jaime ; Mata, Ernesto G. ; Cobo, Justo et al. / Two isomeric reaction products: hydrogen-bonded sheets in methyl 4-(5-amino-3-phenyl-1H-pyrazol-1-yl)-3-nitrobenzoate and hydrogen-bonded chains of edge-fused rings in methyl 3-nitro-4-[(5-phenyl-1H-pyrazol-3-yl)amino] benzoate. In: Acta Crystallographica Section C-Crystal Structure Communications. 2007 ; Vol. 63.

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title = "Two isomeric reaction products: hydrogen-bonded sheets in methyl 4-(5-amino-3-phenyl-1H-pyrazol-1-yl)-3-nitrobenzoate and hydrogen-bonded chains of edge-fused rings in methyl 3-nitro-4-[(5-phenyl-1H-pyrazol-3-yl)amino] benzoate",

abstract = "In methyl 4-(5-amino-3-phenyl-1H-pyrazol-1-yl)-3-nitrobenzoate, C17H14N4O4, the molecules are linked into complex sheets by a combination of N-H center dot center dot center dot N, N-H center dot center dot center dot O and C - H center dot center dot center dot O hydrogen bonds. In the isomeric methyl 3-nitro-4-[(5-phenyl- 1H-pyrazol-3-yl)amino] benzoate, molecules exhibit a polarized molecular-electronic structure and are linked into chains of edge-fused rings by a combination of N-H center dot center dot center dot O and C - H center dot center dot center dot O hydrogen bonds.",

author = "Jaime Portilla and Mata, {Ernesto G.} and Justo Cobo and Low, {John N.} and Christopher Glidewell",

year = "2007",

month = sep,

doi = "10.1107/S010827010703346X",

language = "English",

volume = "63",

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

issn = "1600-5759",

publisher = "International Union of Crystallography",

}

Portilla, J, Mata, EG, Cobo, J, Low, JN & Glidewell, C 2007, 'Two isomeric reaction products: hydrogen-bonded sheets in methyl 4-(5-amino-3-phenyl-1H-pyrazol-1-yl)-3-nitrobenzoate and hydrogen-bonded chains of edge-fused rings in methyl 3-nitro-4-[(5-phenyl-1H-pyrazol-3-yl)amino] benzoate', Acta Crystallographica Section C-Crystal Structure Communications, vol. 63. https://doi.org/10.1107/S010827010703346X

Two isomeric reaction products: hydrogen-bonded sheets in methyl 4-(5-amino-3-phenyl-1H-pyrazol-1-yl)-3-nitrobenzoate and hydrogen-bonded chains of edge-fused rings in methyl 3-nitro-4-[(5-phenyl-1H-pyrazol-3-yl)amino] benzoate. / Portilla, Jaime; Mata, Ernesto G.; Cobo, Justo et al.
In: Acta Crystallographica Section C-Crystal Structure Communications, Vol. 63, 09.2007.

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

TY - JOUR

T1 - Two isomeric reaction products: hydrogen-bonded sheets in methyl 4-(5-amino-3-phenyl-1H-pyrazol-1-yl)-3-nitrobenzoate and hydrogen-bonded chains of edge-fused rings in methyl 3-nitro-4-[(5-phenyl-1H-pyrazol-3-yl)amino] benzoate

AU - Portilla, Jaime

AU - Mata, Ernesto G.

AU - Cobo, Justo

AU - Low, John N.

AU - Glidewell, Christopher

PY - 2007/9

Y1 - 2007/9

N2 - In methyl 4-(5-amino-3-phenyl-1H-pyrazol-1-yl)-3-nitrobenzoate, C17H14N4O4, the molecules are linked into complex sheets by a combination of N-H center dot center dot center dot N, N-H center dot center dot center dot O and C - H center dot center dot center dot O hydrogen bonds. In the isomeric methyl 3-nitro-4-[(5-phenyl- 1H-pyrazol-3-yl)amino] benzoate, molecules exhibit a polarized molecular-electronic structure and are linked into chains of edge-fused rings by a combination of N-H center dot center dot center dot O and C - H center dot center dot center dot O hydrogen bonds.

AB - In methyl 4-(5-amino-3-phenyl-1H-pyrazol-1-yl)-3-nitrobenzoate, C17H14N4O4, the molecules are linked into complex sheets by a combination of N-H center dot center dot center dot N, N-H center dot center dot center dot O and C - H center dot center dot center dot O hydrogen bonds. In the isomeric methyl 3-nitro-4-[(5-phenyl- 1H-pyrazol-3-yl)amino] benzoate, molecules exhibit a polarized molecular-electronic structure and are linked into chains of edge-fused rings by a combination of N-H center dot center dot center dot O and C - H center dot center dot center dot O hydrogen bonds.

U2 - 10.1107/S010827010703346X

DO - 10.1107/S010827010703346X

M3 - Article

SN - 1600-5759

VL - 63

JO - Acta Crystallographica Section C-Crystal Structure Communications

JF - Acta Crystallographica Section C-Crystal Structure Communications

ER -

Portilla J, Mata EG, Cobo J, Low JN, Glidewell C. Two isomeric reaction products: hydrogen-bonded sheets in methyl 4-(5-amino-3-phenyl-1H-pyrazol-1-yl)-3-nitrobenzoate and hydrogen-bonded chains of edge-fused rings in methyl 3-nitro-4-[(5-phenyl-1H-pyrazol-3-yl)amino] benzoate. Acta Crystallographica Section C-Crystal Structure Communications. 2007 Sept;63. doi: 10.1107/S010827010703346X