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3-Nitro-benzo-nitrile.

ABSTRACT: The crystal structure of 3-nitrobenzonitrile, C₇H₄N₂O₂, was elucidated by low-temperature single-crystal X-ray diffraction. The compound crystallizes in the Sohncke space group P2₁ and features two mol-ecules in the unit cell. Aromatic π-π stacking leads to stacks of mol-ecules in the [100] direction. The absolute structure was established from anomalous dispersion.

SUBMITTER: Virant M

PROVIDER: S-EPMC10561223 | biostudies-literature | 2023 Sep

REPOSITORIES: biostudies-literature

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3-Nitro-benzo-nitrile.

Virant Miha M Siljanovska Ana A Cerkovnik Janez J Lozinšek Matic M

IUCrData 20230922 Pt 9

The crystal structure of 3-nitrobenzonitrile, C7H4N2O2, was elucidated by low-temperature single-crystal X-ray diffraction. The compound crystallizes in the Sohncke space group P21 and features two mol-ecules in the unit cell. Aromatic π-π stacking leads to stacks of mol-ecules in the [100] direction. The absolute structure was established from anomalous dispersion. ...[more]

PMID: 37818464

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