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 - 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.

Original languageEnglish
Pages (from-to)o323-o323
Number of pages1
JournalActa Crystallographica Section E: Structure Reports Online
VolumeE70
Issue numberPart 3
DOIs
Publication statusPublished - 1 Mar 2014
Externally publishedYes

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Nitrobenzene
nitrobenzenes
Benzene
Torsional stress
torsion
topology
benzene
Topology
Crystals
rings
crystals
interactions
nitrobenzene

Cite this

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
Jan, Chin Yee ; Shamsudin, Norzianah Binti Haji ; Tan, Ai Ling ; Young, David J. ; Ng, Seik Weng ; Tiekink, Edward R T. / 4-Nitrophthalonitrile. In: Acta Crystallographica Section E: Structure Reports Online. 2014 ; Vol. E70, No. Part 3. pp. o323-o323.
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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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Jan, CY, Shamsudin, NBH, Tan, AL, Young, DJ, Ng, SW & Tiekink, ERT 2014, '4-Nitrophthalonitrile', Acta Crystallographica Section E: Structure Reports Online, vol. E70, no. Part 3, pp. o323-o323. https://doi.org/10.1107/S1600536814003468

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

In: Acta Crystallographica Section E: Structure Reports Online, Vol. E70, No. Part 3, 01.03.2014, p. o323-o323.

Research output: Contribution to journalArticleResearchpeer-review

TY - JOUR

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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U2 - 10.1107/S1600536814003468

DO - 10.1107/S1600536814003468

M3 - Article

VL - E70

SP - o323-o323

JO - Acta Crystallographica Section E: Crystallographic Communications

JF - Acta Crystallographica Section E: Crystallographic Communications

SN - 1600-5368

IS - Part 3

ER -

Jan CY, Shamsudin NBH, Tan AL, Young DJ, Ng SW, Tiekink ERT. 4-Nitrophthalonitrile. Acta Crystallographica Section E: Structure Reports Online. 2014 Mar 1;E70(Part 3):o323-o323. https://doi.org/10.1107/S1600536814003468