4-[(2-Chloroethyl)amino]quinolinium chloride monohydrate
In the title salt hydrate, C11H12ClN2+·Cl−·H2O, the quinolinium core is essentially planar (r.m.s. deviation = 0.027 Å) with the chloroethyl side chain being almost orthogonal to the core [C—N—C&#8...
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2009-12-01
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| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S160053680904834X |
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doaj-5d16ba790b0d4b21b2192f5779746b1c2020-11-24T22:26:29ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682009-12-016512o3120o312110.1107/S160053680904834X4-[(2-Chloroethyl)amino]quinolinium chloride monohydrateJames L. WardellEdward R. T. TiekinkMarcus V. N. de SouzaSolange M. S. V. WardellIn the title salt hydrate, C11H12ClN2+·Cl−·H2O, the quinolinium core is essentially planar (r.m.s. deviation = 0.027 Å) with the chloroethyl side chain being almost orthogonal to the core [C—N—C—C torsion angle = −80.0 (3)°]. In the crystal packing, the water molecule bridges three species, forming donor interactions to two chloride anions and accepting a hydrogen bond from the quinolinium H atom. The chloride anion accepts a hydrogen bond from the amine N atom with the result that a two-dimensional supramolecular array is formed in the ac plane. A C—H...Cl interaction also occurs. http://scripts.iucr.org/cgi-bin/paper?S160053680904834X |
| collection |
DOAJ |
| language |
English |
| format |
Article |
| sources |
DOAJ |
| author |
James L. Wardell Edward R. T. Tiekink Marcus V. N. de Souza Solange M. S. V. Wardell |
| spellingShingle |
James L. Wardell Edward R. T. Tiekink Marcus V. N. de Souza Solange M. S. V. Wardell 4-[(2-Chloroethyl)amino]quinolinium chloride monohydrate Acta Crystallographica Section E |
| author_facet |
James L. Wardell Edward R. T. Tiekink Marcus V. N. de Souza Solange M. S. V. Wardell |
| author_sort |
James L. Wardell |
| title |
4-[(2-Chloroethyl)amino]quinolinium chloride monohydrate |
| title_short |
4-[(2-Chloroethyl)amino]quinolinium chloride monohydrate |
| title_full |
4-[(2-Chloroethyl)amino]quinolinium chloride monohydrate |
| title_fullStr |
4-[(2-Chloroethyl)amino]quinolinium chloride monohydrate |
| title_full_unstemmed |
4-[(2-Chloroethyl)amino]quinolinium chloride monohydrate |
| title_sort |
4-[(2-chloroethyl)amino]quinolinium chloride monohydrate |
| publisher |
International Union of Crystallography |
| series |
Acta Crystallographica Section E |
| issn |
1600-5368 |
| publishDate |
2009-12-01 |
| description |
In the title salt hydrate, C11H12ClN2+·Cl−·H2O, the quinolinium core is essentially planar (r.m.s. deviation = 0.027 Å) with the chloroethyl side chain being almost orthogonal to the core [C—N—C—C torsion angle = −80.0 (3)°]. In the crystal packing, the water molecule bridges three species, forming donor interactions to two chloride anions and accepting a hydrogen bond from the quinolinium H atom. The chloride anion accepts a hydrogen bond from the amine N atom with the result that a two-dimensional supramolecular array is formed in the ac plane. A C—H...Cl interaction also occurs. |
| url |
http://scripts.iucr.org/cgi-bin/paper?S160053680904834X |
| work_keys_str_mv |
AT jameslwardell 42chloroethylaminoquinoliniumchloridemonohydrate AT edwardrttiekink 42chloroethylaminoquinoliniumchloridemonohydrate AT marcusvndesouza 42chloroethylaminoquinoliniumchloridemonohydrate AT solangemsvwardell 42chloroethylaminoquinoliniumchloridemonohydrate |
| _version_ |
1725753412049436672 |