Crystal structure of N1-benzyl-N1,N2,N2-trimethylethane-1,2-diaminium dichloride
In the title molecular salt, C12H22N22+·2Cl−, which was obtained as a by-product in the attempted synthesis of a mercury derivative, the conformation of the N—C—C—N bond in the cation is anti [torsion angle = 175.1 (10)°]. In the crystal, the cations are linked to the anions by N—H...Cl hydrogen bon...
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2014-09-01
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| Series: | Acta Crystallographica Section E |
| Subjects: | |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536814015797 |
| _version_ | 1798019010020769792 |
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| author | Pushpendra Singh Harkesh B. Singh Ray J. Butcher |
| author_facet | Pushpendra Singh Harkesh B. Singh Ray J. Butcher |
| author_sort | Pushpendra Singh |
| collection | DOAJ |
| description | In the title molecular salt, C12H22N22+·2Cl−, which was obtained as a by-product in the attempted synthesis of a mercury derivative, the conformation of the N—C—C—N bond in the cation is anti [torsion angle = 175.1 (10)°]. In the crystal, the cations are linked to the anions by N—H...Cl hydrogen bonds, generating ion-triplets. These are linked by numerous weak C—H...Cl interactions, generating a three-dimensional network. The structure was refined as an inversion twin. |
| first_indexed | 2024-04-11T16:33:48Z |
| format | Article |
| id | doaj.art-6904764ac0ec4a42b5e30d04c292f394 |
| institution | Directory Open Access Journal |
| issn | 1600-5368 |
| language | English |
| last_indexed | 2024-04-11T16:33:48Z |
| publishDate | 2014-09-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E |
| spelling | doaj.art-6904764ac0ec4a42b5e30d04c292f3942022-12-22T04:13:54ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682014-09-01709o911o91210.1107/S1600536814015797hb7244Crystal structure of N1-benzyl-N1,N2,N2-trimethylethane-1,2-diaminium dichloridePushpendra Singh0Harkesh B. Singh1Ray J. Butcher2Department of Chemistry, Indian Institute of Technology Bombay, Powai, Mumbai, 400076, IndiaDepartment of Chemistry, Indian Institute of Technology Bombay, Powai, Mumbai, 400076, IndiaDepartment of Chemistry, Howard University, 525 College Street NW, Washington DC 20059, USAIn the title molecular salt, C12H22N22+·2Cl−, which was obtained as a by-product in the attempted synthesis of a mercury derivative, the conformation of the N—C—C—N bond in the cation is anti [torsion angle = 175.1 (10)°]. In the crystal, the cations are linked to the anions by N—H...Cl hydrogen bonds, generating ion-triplets. These are linked by numerous weak C—H...Cl interactions, generating a three-dimensional network. The structure was refined as an inversion twin.http://scripts.iucr.org/cgi-bin/paper?S1600536814015797crystal structurehydrogen bondsC—H...Cl interactionsion-tripletsinversion twin |
| spellingShingle | Pushpendra Singh Harkesh B. Singh Ray J. Butcher Crystal structure of N1-benzyl-N1,N2,N2-trimethylethane-1,2-diaminium dichloride Acta Crystallographica Section E crystal structure hydrogen bonds C—H...Cl interactions ion-triplets inversion twin |
| title | Crystal structure of N1-benzyl-N1,N2,N2-trimethylethane-1,2-diaminium dichloride |
| title_full | Crystal structure of N1-benzyl-N1,N2,N2-trimethylethane-1,2-diaminium dichloride |
| title_fullStr | Crystal structure of N1-benzyl-N1,N2,N2-trimethylethane-1,2-diaminium dichloride |
| title_full_unstemmed | Crystal structure of N1-benzyl-N1,N2,N2-trimethylethane-1,2-diaminium dichloride |
| title_short | Crystal structure of N1-benzyl-N1,N2,N2-trimethylethane-1,2-diaminium dichloride |
| title_sort | crystal structure of n1 benzyl n1 n2 n2 trimethylethane 1 2 diaminium dichloride |
| topic | crystal structure hydrogen bonds C—H...Cl interactions ion-triplets inversion twin |
| url | http://scripts.iucr.org/cgi-bin/paper?S1600536814015797 |
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