N-(4-Chloro-2-nitrophenyl)-5-methyl-isoxazole-4-carboxamide

De Cai Wang; Liang Cheng Huang; Zhu Yun Liu; Ping Wei; Ping Kai Ou-Yang

doi:10.1107/S1600536811047994

N-(4-Chloro-2-nitrophenyl)-5-methyl-isoxazole-4-carboxamide

De Cai Wang, Liang Cheng Huang, Zhu Yun Liu, Ping Wei, Ping Kai Ou-Yang

COLLEGE OF BIOTECHNOLOGY AND PHARMACEUTICAL ENGINEERING

Nanjing Tech University

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

1 Scopus citations

Abstract

In the title compound, C₁₁H₈ClN₃O ₄, the dihedral angle between benzene and isoxazole rings is 9.92 (1)°. The nitro group is almost coplanar with the benzene ring with an O - N - C - C torsion angle of 8.4 (3)°. The molecular conformation is stabilized by an intramolecular N-H⋯O hydrogen bond, closing a six-membered ring.

Original language	English
Pages (from-to)	o3332
Journal	Acta Crystallographica Section E: Structure Reports Online
Volume	67
Issue number	12
DOIs	https://doi.org/10.1107/S1600536811047994
State	Published - Dec 2011

Keywords

R factor = 0.042
T = 293 K
data-to-parameter ratio = 12.2
mean σ(C-C) = 0.004 Å
single-crystal X-ray study
wR factor = 0.143

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@article{7787ca29428944f68acfcd46b1751f9a,

title = "N-(4-Chloro-2-nitrophenyl)-5-methyl-isoxazole-4-carboxamide",

abstract = "In the title compound, C11H8ClN3O 4, the dihedral angle between benzene and isoxazole rings is 9.92 (1)°. The nitro group is almost coplanar with the benzene ring with an O - N - C - C torsion angle of 8.4 (3)°. The molecular conformation is stabilized by an intramolecular N-H⋯O hydrogen bond, closing a six-membered ring.",

keywords = "R factor = 0.042, T = 293 K, data-to-parameter ratio = 12.2, mean σ(C-C) = 0.004 {\AA}, single-crystal X-ray study, wR factor = 0.143",

author = "Wang, {De Cai} and Huang, {Liang Cheng} and Liu, {Zhu Yun} and Ping Wei and Ou-Yang, {Ping Kai}",

year = "2011",

month = dec,

doi = "10.1107/S1600536811047994",

language = "英语",

volume = "67",

pages = "o3332",

journal = "Acta Crystallographica Section E: Structure Reports Online",

issn = "1600-5368",

publisher = "International Union of Crystallography",

number = "12",

}

TY - JOUR

T1 - N-(4-Chloro-2-nitrophenyl)-5-methyl-isoxazole-4-carboxamide

AU - Wang, De Cai

AU - Huang, Liang Cheng

AU - Liu, Zhu Yun

AU - Wei, Ping

AU - Ou-Yang, Ping Kai

PY - 2011/12

Y1 - 2011/12

N2 - In the title compound, C11H8ClN3O 4, the dihedral angle between benzene and isoxazole rings is 9.92 (1)°. The nitro group is almost coplanar with the benzene ring with an O - N - C - C torsion angle of 8.4 (3)°. The molecular conformation is stabilized by an intramolecular N-H⋯O hydrogen bond, closing a six-membered ring.

AB - In the title compound, C11H8ClN3O 4, the dihedral angle between benzene and isoxazole rings is 9.92 (1)°. The nitro group is almost coplanar with the benzene ring with an O - N - C - C torsion angle of 8.4 (3)°. The molecular conformation is stabilized by an intramolecular N-H⋯O hydrogen bond, closing a six-membered ring.

KW - R factor = 0.042

KW - T = 293 K

KW - data-to-parameter ratio = 12.2

KW - mean σ(C-C) = 0.004 Å

KW - single-crystal X-ray study

KW - wR factor = 0.143

UR - http://www.scopus.com/inward/record.url?scp=83155178375&partnerID=8YFLogxK

U2 - 10.1107/S1600536811047994

DO - 10.1107/S1600536811047994

M3 - 文章

AN - SCOPUS:83155178375

SN - 1600-5368

VL - 67

SP - o3332

JO - Acta Crystallographica Section E: Structure Reports Online

JF - Acta Crystallographica Section E: Structure Reports Online

IS - 12

ER -

N-(4-Chloro-2-nitrophenyl)-5-methyl-isoxazole-4-carboxamide

Abstract

Keywords

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