1,3-Bis(2-cyanopropan-2-yl)-5-methylbenzene

The complete molecule of the title compound [systematic name: 2,2′-(5-methyl-1,3-phenylene)bis(2-methylpropanenitrile)] is generated by a crystallographic twofold axis, which leads to disorder of the H atoms on the methyl group attached to the benzene ring. The dihedral angle between the benzene rin...

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Main Authors:	Sundaramoorthy Gomathi, Udhayasuriyan Sathya, Sadasivam Sharmila Tagore, Jeyaraman Selvaraj Nirmal Ram, Devakumar Manikandan, Velusamy Sethuraman, Colin McMillen
Format:	Article
Language:	English
Published:	International Union of Crystallography 2019-04-01
Series:	IUCrData
Subjects:	1,3-di(dimethylcyanomethyl)-5-methylbenzene spectroscopic studies crystal structure non-covalent interaction
Online Access:	http://scripts.iucr.org/cgi-bin/paper?S2414314619003766

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spelling	doaj-618b286605f6496a8793fbd4fba05ced2020-11-25T00:36:59ZengInternational Union of CrystallographyIUCrData2414-31462019-04-0144x19037610.1107/S2414314619003766pk40231,3-Bis(2-cyanopropan-2-yl)-5-methylbenzeneSundaramoorthy Gomathi0Udhayasuriyan Sathya1Sadasivam Sharmila Tagore2Jeyaraman Selvaraj Nirmal Ram3Devakumar Manikandan4Velusamy Sethuraman5Colin McMillen6Department of Chemistry, Periyar Maniammai Institute of Science and Technology, Thanjavur 613 403, Tamil Nadu, IndiaDepartment of Chemistry, Periyar Maniammai Institute of Science and Technology, Thanjavur 613 403, Tamil Nadu, IndiaDepartment of Chemistry, Periyar Maniammai Institute of Science and Technology, Thanjavur 613 403, Tamil Nadu, IndiaDepartment of Chemistry, PRIST Deemed to be University, Thanjavur 613 403, Tamil Nadu, IndiaDepartment of Chemistry, Periyar Maniammai Institute of Science and Technology, Thanjavur 613 403, Tamil Nadu, IndiaDepartment of Chemistry, Periyar Maniammai Institute of Science and Technology, Thanjavur 613 403, Tamil Nadu, IndiaMolecular Structure Center, Department of Chemistry, Clemson University, 379 Hunter Laboratories, Clemson, SC 29634-0973, USAThe complete molecule of the title compound [systematic name: 2,2′-(5-methyl-1,3-phenylene)bis(2-methylpropanenitrile)] is generated by a crystallographic twofold axis, which leads to disorder of the H atoms on the methyl group attached to the benzene ring. The dihedral angle between the benzene ring and the nitrile group is 26.2 (2)°. In the crystal, pairs of weak C—H...π interactions link molecules into dimers. The molecule absorbs at 212 nm as a result of a π–π* transition.http://scripts.iucr.org/cgi-bin/paper?S24143146190037661,3-di(dimethylcyanomethyl)-5-methylbenzenespectroscopic studiescrystal structurenon-covalent interaction
collection	DOAJ
language	English
format	Article
sources	DOAJ
author	Sundaramoorthy Gomathi Udhayasuriyan Sathya Sadasivam Sharmila Tagore Jeyaraman Selvaraj Nirmal Ram Devakumar Manikandan Velusamy Sethuraman Colin McMillen
spellingShingle	Sundaramoorthy Gomathi Udhayasuriyan Sathya Sadasivam Sharmila Tagore Jeyaraman Selvaraj Nirmal Ram Devakumar Manikandan Velusamy Sethuraman Colin McMillen 1,3-Bis(2-cyanopropan-2-yl)-5-methylbenzene IUCrData 1,3-di(dimethylcyanomethyl)-5-methylbenzene spectroscopic studies crystal structure non-covalent interaction
author_facet	Sundaramoorthy Gomathi Udhayasuriyan Sathya Sadasivam Sharmila Tagore Jeyaraman Selvaraj Nirmal Ram Devakumar Manikandan Velusamy Sethuraman Colin McMillen
author_sort	Sundaramoorthy Gomathi
title	1,3-Bis(2-cyanopropan-2-yl)-5-methylbenzene
title_short	1,3-Bis(2-cyanopropan-2-yl)-5-methylbenzene
title_full	1,3-Bis(2-cyanopropan-2-yl)-5-methylbenzene
title_fullStr	1,3-Bis(2-cyanopropan-2-yl)-5-methylbenzene
title_full_unstemmed	1,3-Bis(2-cyanopropan-2-yl)-5-methylbenzene
title_sort	1,3-bis(2-cyanopropan-2-yl)-5-methylbenzene
publisher	International Union of Crystallography
series	IUCrData
issn	2414-3146
publishDate	2019-04-01
description	The complete molecule of the title compound [systematic name: 2,2′-(5-methyl-1,3-phenylene)bis(2-methylpropanenitrile)] is generated by a crystallographic twofold axis, which leads to disorder of the H atoms on the methyl group attached to the benzene ring. The dihedral angle between the benzene ring and the nitrile group is 26.2 (2)°. In the crystal, pairs of weak C—H...π interactions link molecules into dimers. The molecule absorbs at 212 nm as a result of a π–π* transition.
topic	1,3-di(dimethylcyanomethyl)-5-methylbenzene spectroscopic studies crystal structure non-covalent interaction
url	http://scripts.iucr.org/cgi-bin/paper?S2414314619003766
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1,3-Bis(2-cyanopropan-2-yl)-5-methylbenzene

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