Methyl 4-[(1-acetyl-3-tert-butyl-1H-pyrazol-5-yl)amino]-3-nitrobenzoate

Edwar Cortes; Rodrigo Abonia; Justo Cobo; Christopher Glidewell

doi:10.1107/S0108270110047955

Methyl 4-[(1-acetyl-3-tert-butyl-1H-pyrazol-5-yl)amino]-3-nitrobenzoate

Edwar Cortes, Rodrigo Abonia, Justo Cobo, Christopher Glidewell

School of Chemistry

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

Abstract

In the molecule of the title compound, C17H20N4O5, there are two intramolecular N-H...O hydrogen bonds having amidic and nitro-group O atoms as the acceptors and together forming a three-centre N-H...(O)(2) system. These interactions appear to play an important role in controlling the relative orientation of the pyrazole and aryl rings. The bond distances provide evidence for some polarization of the electronic structure. Molecules are linked into simple chains by a single C-H...O hydrogen bond.

Original language	English
Pages (from-to)	O26-O28
Number of pages	3
Journal	Acta Crystallographica Section C: Crystal Structure Communications
Volume	67
DOIs	https://doi.org/10.1107/S0108270110047955
Publication status	Published - Jan 2011

Keywords

HYDROGEN-BONDED FRAMEWORK
SHEETS
RINGS
CHAINS

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title = "Methyl 4-[(1-acetyl-3-tert-butyl-1H-pyrazol-5-yl)amino]-3-nitrobenzoate",

abstract = "In the molecule of the title compound, C17H20N4O5, there are two intramolecular N-H...O hydrogen bonds having amidic and nitro-group O atoms as the acceptors and together forming a three-centre N-H...(O)(2) system. These interactions appear to play an important role in controlling the relative orientation of the pyrazole and aryl rings. The bond distances provide evidence for some polarization of the electronic structure. Molecules are linked into simple chains by a single C-H...O hydrogen bond.",

keywords = "HYDROGEN-BONDED FRAMEWORK, SHEETS, RINGS, CHAINS",

author = "Edwar Cortes and Rodrigo Abonia and Justo Cobo and Christopher Glidewell",

year = "2011",

month = jan,

doi = "10.1107/S0108270110047955",

language = "English",

volume = "67",

pages = "O26--O28",

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

issn = "0108-2701",

publisher = "International Union of Crystallography",

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TY - JOUR

T1 - Methyl 4-[(1-acetyl-3-tert-butyl-1H-pyrazol-5-yl)amino]-3-nitrobenzoate

AU - Cortes, Edwar

AU - Abonia, Rodrigo

AU - Cobo, Justo

AU - Glidewell, Christopher

PY - 2011/1

Y1 - 2011/1

N2 - In the molecule of the title compound, C17H20N4O5, there are two intramolecular N-H...O hydrogen bonds having amidic and nitro-group O atoms as the acceptors and together forming a three-centre N-H...(O)(2) system. These interactions appear to play an important role in controlling the relative orientation of the pyrazole and aryl rings. The bond distances provide evidence for some polarization of the electronic structure. Molecules are linked into simple chains by a single C-H...O hydrogen bond.

AB - In the molecule of the title compound, C17H20N4O5, there are two intramolecular N-H...O hydrogen bonds having amidic and nitro-group O atoms as the acceptors and together forming a three-centre N-H...(O)(2) system. These interactions appear to play an important role in controlling the relative orientation of the pyrazole and aryl rings. The bond distances provide evidence for some polarization of the electronic structure. Molecules are linked into simple chains by a single C-H...O hydrogen bond.

KW - HYDROGEN-BONDED FRAMEWORK

KW - SHEETS

KW - RINGS

KW - CHAINS

U2 - 10.1107/S0108270110047955

DO - 10.1107/S0108270110047955

M3 - Article

SN - 0108-2701

VL - 67

SP - O26-O28

JO - Acta Crystallographica Section C: Crystal Structure Communications

JF - Acta Crystallographica Section C: Crystal Structure Communications

ER -

Methyl 4-[(1-acetyl-3-tert-butyl-1H-pyrazol-5-yl)amino]-3-nitrobenzoate

Abstract

Keywords

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