4-Nitrophthalamide

Chin Yee Jan; Norzianah Binti Haji Shamsudin; Ai Ling Tan; David J. Young; Seik Weng Ng; Edward R T Tiekink

doi:10.1107/S1600536814002955

4-Nitrophthalamide

Chin Yee Jan, Norzianah Binti Haji Shamsudin, Ai Ling Tan, David J. Young, Seik Weng Ng, Edward R T Tiekink

Research output: Contribution to journal › Article

Abstract

In the title compound, C₈H₇N₃O₄ (systematic name: 4-nitrobenzene-1,2-dicarboxamide), each of the substituents is twisted out of the plane of the benzene ring to which it is attached [dihedral angles of 11.36 (2)° for the nitro group, and 60.89 (6) and 34.39 (6)° for the amide groups]. The amide groups are orientated to either side of the least-squares plane through the benzene ring with the amine groups being directed furthest apart. In the crystal, a three-dimensional architecture is established by a network of N - H⋯O hydrogen bonds.

Original language	English
Pages (from-to)	o293-o293
Number of pages	1
Journal	Acta Crystallographica Section E: Structure Reports Online
Volume	E70
Issue number	Part 3
DOIs	https://doi.org/10.1107/S1600536814002955
Publication status	Published - Mar 2014
Externally published	Yes

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10.1107/S1600536814002955Licence: CC BY

hg5382Final published version, 386 KBLicence: CC BY

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Jan, C. Y., Shamsudin, N. B. H., Tan, A. L., Young, D. J., Ng, S. W., & Tiekink, E. R. T. (2014). 4-Nitrophthalamide. Acta Crystallographica Section E: Structure Reports Online, E70(Part 3), o293-o293. https://doi.org/10.1107/S1600536814002955

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title = "4-Nitrophthalamide",

abstract = "In the title compound, C8H7N3O4 (systematic name: 4-nitrobenzene-1,2-dicarboxamide), each of the substituents is twisted out of the plane of the benzene ring to which it is attached [dihedral angles of 11.36 (2)° for the nitro group, and 60.89 (6) and 34.39 (6)° for the amide groups]. The amide groups are orientated to either side of the least-squares plane through the benzene ring with the amine groups being directed furthest apart. In the crystal, a three-dimensional architecture is established by a network of N - H⋯O hydrogen bonds.",

keywords = "Data-to-parameter ratio = 11.1, Mean σ(C-C) = 0.002 {\AA}, R factor = 0.032, Single-crystal X-ray study, T = 100 K, wR factor = 0.090",

author = "Jan, {Chin Yee} and Shamsudin, {Norzianah Binti Haji} and Tan, {Ai Ling} and Young, {David J.} and Ng, {Seik Weng} and Tiekink, {Edward R T}",

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T1 - 4-Nitrophthalamide

AU - Jan, Chin Yee

AU - Shamsudin, Norzianah Binti Haji

AU - Tan, Ai Ling

AU - Young, David J.

AU - Ng, Seik Weng

AU - Tiekink, Edward R T

PY - 2014/3

Y1 - 2014/3

N2 - In the title compound, C8H7N3O4 (systematic name: 4-nitrobenzene-1,2-dicarboxamide), each of the substituents is twisted out of the plane of the benzene ring to which it is attached [dihedral angles of 11.36 (2)° for the nitro group, and 60.89 (6) and 34.39 (6)° for the amide groups]. The amide groups are orientated to either side of the least-squares plane through the benzene ring with the amine groups being directed furthest apart. In the crystal, a three-dimensional architecture is established by a network of N - H⋯O hydrogen bonds.

AB - In the title compound, C8H7N3O4 (systematic name: 4-nitrobenzene-1,2-dicarboxamide), each of the substituents is twisted out of the plane of the benzene ring to which it is attached [dihedral angles of 11.36 (2)° for the nitro group, and 60.89 (6) and 34.39 (6)° for the amide groups]. The amide groups are orientated to either side of the least-squares plane through the benzene ring with the amine groups being directed furthest apart. In the crystal, a three-dimensional architecture is established by a network of N - H⋯O hydrogen bonds.

KW - Data-to-parameter ratio = 11.1

KW - Mean σ(C-C) = 0.002 Å

KW - R factor = 0.032

KW - Single-crystal X-ray study

KW - T = 100 K

KW - wR factor = 0.090

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JO - Acta Crystallographica Section E: Crystallographic Communications

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SN - 1600-5368

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