(R)-1-[(S)-(3-Cyano­thio­morpholino)carbon­yl]-2-methyl­propyl­aminium chloride dihydrate

In the title compound, C(10)H(18)N(3)OS(+)·Cl(−)·2H(2)O, the three C atoms of the isopropyl group are disordered and were refined using a split-site mode [occupancy ratio 0.53 (3):0.47 (3)]. In the crystal, the cations, anions and water mol­ecules are connected via O—H⋯O, O—H⋯Cl, N—H⋯Cl and N—H⋯O hy...

Descripción completa

Detalles Bibliográficos
Autores principales: Chen, Pengfei, Liu, Lele, Xiao, Junhai, Zhong, Wu, Li, Song
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2971975/
https://www.ncbi.nlm.nih.gov/pubmed/21578974
http://dx.doi.org/10.1107/S1600536809050624
_version_ 1782190714280476672
author Chen, Pengfei
Liu, Lele
Xiao, Junhai
Zhong, Wu
Li, Song
author_facet Chen, Pengfei
Liu, Lele
Xiao, Junhai
Zhong, Wu
Li, Song
author_sort Chen, Pengfei
collection PubMed
description In the title compound, C(10)H(18)N(3)OS(+)·Cl(−)·2H(2)O, the three C atoms of the isopropyl group are disordered and were refined using a split-site mode [occupancy ratio 0.53 (3):0.47 (3)]. In the crystal, the cations, anions and water mol­ecules are connected via O—H⋯O, O—H⋯Cl, N—H⋯Cl and N—H⋯O hydrogen bonding.
format Text
id pubmed-2971975
institution National Center for Biotechnology Information
language English
publishDate 2009
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-29719752010-12-30 (R)-1-[(S)-(3-Cyano­thio­morpholino)carbon­yl]-2-methyl­propyl­aminium chloride dihydrate Chen, Pengfei Liu, Lele Xiao, Junhai Zhong, Wu Li, Song Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(10)H(18)N(3)OS(+)·Cl(−)·2H(2)O, the three C atoms of the isopropyl group are disordered and were refined using a split-site mode [occupancy ratio 0.53 (3):0.47 (3)]. In the crystal, the cations, anions and water mol­ecules are connected via O—H⋯O, O—H⋯Cl, N—H⋯Cl and N—H⋯O hydrogen bonding. International Union of Crystallography 2009-11-28 /pmc/articles/PMC2971975/ /pubmed/21578974 http://dx.doi.org/10.1107/S1600536809050624 Text en © Chen et al. 2009 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Chen, Pengfei
Liu, Lele
Xiao, Junhai
Zhong, Wu
Li, Song
(R)-1-[(S)-(3-Cyano­thio­morpholino)carbon­yl]-2-methyl­propyl­aminium chloride dihydrate
title (R)-1-[(S)-(3-Cyano­thio­morpholino)carbon­yl]-2-methyl­propyl­aminium chloride dihydrate
title_full (R)-1-[(S)-(3-Cyano­thio­morpholino)carbon­yl]-2-methyl­propyl­aminium chloride dihydrate
title_fullStr (R)-1-[(S)-(3-Cyano­thio­morpholino)carbon­yl]-2-methyl­propyl­aminium chloride dihydrate
title_full_unstemmed (R)-1-[(S)-(3-Cyano­thio­morpholino)carbon­yl]-2-methyl­propyl­aminium chloride dihydrate
title_short (R)-1-[(S)-(3-Cyano­thio­morpholino)carbon­yl]-2-methyl­propyl­aminium chloride dihydrate
title_sort (r)-1-[(s)-(3-cyano­thio­morpholino)carbon­yl]-2-methyl­propyl­aminium chloride dihydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2971975/
https://www.ncbi.nlm.nih.gov/pubmed/21578974
http://dx.doi.org/10.1107/S1600536809050624
work_keys_str_mv AT chenpengfei r1s3cyanothiomorpholinocarbonyl2methylpropylaminiumchloridedihydrate
AT liulele r1s3cyanothiomorpholinocarbonyl2methylpropylaminiumchloridedihydrate
AT xiaojunhai r1s3cyanothiomorpholinocarbonyl2methylpropylaminiumchloridedihydrate
AT zhongwu r1s3cyanothiomorpholinocarbonyl2methylpropylaminiumchloridedihydrate
AT lisong r1s3cyanothiomorpholinocarbonyl2methylpropylaminiumchloridedihydrate

Ejemplares similares