4-Nitrophthalonitrile

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

doi:10.1107/S1600536814003468

4-Nitrophthalonitrile

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

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Abstract

In the title compound, C₈H₃N₃O₂ (systematic name: 4-nitrobenzene-1,2-dicarbonitrile), the nitro group is twisted out of the plane of the benzene ring to which it is attached [O-N - C_ring- C_ring torsion angle = 9.80 (13)°]. In the crystal packing, supramolecular layers with a zigzag topology in the ac plane are sustained by C-H⋯N interactions.

Original language	English
Pages (from-to)	o323-o323
Number of pages	1
Journal	Acta Crystallographica Section E: Structure Reports Online
Volume	E70
Issue number	Part 3
DOIs	https://doi.org/10.1107/S1600536814003468
Publication status	Published - 1 Mar 2014
Externally published	Yes

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10.1107/S1600536814003468Licence: CC BY

22656586-oaFinal published version, 538 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-Nitrophthalonitrile. Acta Crystallographica Section E: Structure Reports Online, E70(Part 3), o323-o323. https://doi.org/10.1107/S1600536814003468

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abstract = "In the title compound, C8H3N3O2 (systematic name: 4-nitrobenzene-1,2-dicarbonitrile), the nitro group is twisted out of the plane of the benzene ring to which it is attached [O-N - Cring- Cring torsion angle = 9.80 (13)°]. In the crystal packing, supramolecular layers with a zigzag topology in the ac plane are sustained by C-H⋯N interactions.",

keywords = "Data-to-parameter ratio = 12.6, Mean σ(C-C) = 0.001 {\AA}, R factor = 0.030, Single-crystal X-ray study, T = 100 K, wR factor = 0.088",

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-Nitrophthalonitrile

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 - 2014/3/1

Y1 - 2014/3/1

N2 - In the title compound, C8H3N3O2 (systematic name: 4-nitrobenzene-1,2-dicarbonitrile), the nitro group is twisted out of the plane of the benzene ring to which it is attached [O-N - Cring- Cring torsion angle = 9.80 (13)°]. In the crystal packing, supramolecular layers with a zigzag topology in the ac plane are sustained by C-H⋯N interactions.

AB - In the title compound, C8H3N3O2 (systematic name: 4-nitrobenzene-1,2-dicarbonitrile), the nitro group is twisted out of the plane of the benzene ring to which it is attached [O-N - Cring- Cring torsion angle = 9.80 (13)°]. In the crystal packing, supramolecular layers with a zigzag topology in the ac plane are sustained by C-H⋯N interactions.

KW - Data-to-parameter ratio = 12.6

KW - Mean σ(C-C) = 0.001 Å

KW - R factor = 0.030

KW - Single-crystal X-ray study

KW - T = 100 K

KW - wR factor = 0.088

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JO - Acta Crystallographica Section E: Crystallographic Communications

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