N-(4-Methylbenzyl)-3-nitroanilinium chloride

Đaković, Marijana and Portada, Tomislav and Ugrinovski, Dora (2012) N-(4-Methylbenzyl)-3-nitroanilinium chloride. Acta Crystallographica Section E: Structure Reports Online, E68. o2152-o2152. ISSN 1600-5368

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Abstract

The cation of the title compound, C14H15N2O2 x Cl, comprises two almost ideally planar systems, 3-nitrophenyl (r.m.s. deviation = 0.0117 A˚) and 4-methylphenyl (r.m.s. deviation = 0.238 A˚), separated by the central C—N bond, and with their mean planes inclined to one another by 61.36 (5)�. In the crystal, hydrogen-bonded chains running along [001] are generated by connecting neighbouring molecules via N—HCl hydrogen bonds and consolidated by C—H...Cl and C—H...O interactions. Within these chains, fused R 2 1 (6) and R 3 2 (10) ring motifs are formed. Parallel chains are further linked into a two-dimensional network parallel to (100) via C—H...O interactions.

Item Type: Article
Keywords: single-crystal X-ray study; T = 296 K; mean (C–C) = 0.002 A˚; R factor = 0.043; wR factor = 0.113; data-to-parameter ratio = 22.5
Date: 2012
Subjects: NATURAL SCIENCES > Chemistry
Divisions: Faculty of Science > Department of Chemistry
Publisher: International Union of Crystallography
Depositing User: mag. bibl. Ana Šafran
Date Deposited: 06 Jun 2014 11:49
Last Modified: 06 Jun 2014 11:49
URI: http://digre.pmf.unizg.hr/id/eprint/2289

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