Antoine Hardy, François Gérard, Abdou Soilihi, Kamran Ahmadi, Anne-Marie Hardy
{"title":"Crystal structure of 1,3,5-trimethyl-2,4,6-trinitrobenzene, trisubstituted picryl group","authors":"Antoine Hardy, François Gérard, Abdou Soilihi, Kamran Ahmadi, Anne-Marie Hardy","doi":"10.1016/S1251-8069(97)88175-4","DOIUrl":null,"url":null,"abstract":"<div><p>The original structure of 1,3,5-trimethyl-2,4,6-trinitrobenzene (TNM) is composed of separate planar layers with hexagonal pseudo-symmetry, like a prismatic single crystal. These layers are parallel to (20) and the interlayer distance is greater than the standard spacing for two benzene rings. NO<sub>2</sub> group planes and the tallying benzene ring are nearly normal. This and the methyl group resonance minimize the interlayer oxygen-hydrogen distances of two symmetrical molecules in separate layers. Crystal data: triclinic, space group P, <em>a</em> = 8.268(1) Å, <em>b</em> = 8.7890(5) Å, <em>c</em> = 9.932(1) Å, α = 108.12(1)°, β= 113.25(1)°, γ = 95.19(1)°, <em>V</em>= 549.7(2) Å<sup>3</sup>, Z = 2, <em>R(F)</em>= 5.1 %, 1 822 observed reflections ¦F<sub>0</sub><sup>2</sup> > 3 σ(F<sub>0</sub><sup>2</sup>)</p></div>","PeriodicalId":100304,"journal":{"name":"Comptes Rendus de l'Académie des Sciences - Series IIB - Mechanics-Physics-Chemistry-Astronomy","volume":null,"pages":null},"PeriodicalIF":0.0000,"publicationDate":"1997-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/S1251-8069(97)88175-4","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Comptes Rendus de l'Académie des Sciences - Series IIB - Mechanics-Physics-Chemistry-Astronomy","FirstCategoryId":"1085","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S1251806997881754","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 0
Abstract
The original structure of 1,3,5-trimethyl-2,4,6-trinitrobenzene (TNM) is composed of separate planar layers with hexagonal pseudo-symmetry, like a prismatic single crystal. These layers are parallel to (20) and the interlayer distance is greater than the standard spacing for two benzene rings. NO2 group planes and the tallying benzene ring are nearly normal. This and the methyl group resonance minimize the interlayer oxygen-hydrogen distances of two symmetrical molecules in separate layers. Crystal data: triclinic, space group P, a = 8.268(1) Å, b = 8.7890(5) Å, c = 9.932(1) Å, α = 108.12(1)°, β= 113.25(1)°, γ = 95.19(1)°, V= 549.7(2) Å3, Z = 2, R(F)= 5.1 %, 1 822 observed reflections ¦F02 > 3 σ(F02)
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