Methyl 2-[(methyl­sulfon­yl)(prop­yl)amino]benzoate

The asymmetric unit of the title compound, C(12)H(17)NO(4)S, contains two mol­ecules, both of which show disorder of the two terminal C atoms of the propyl chain over two sets of sites with an occupancy ratio of 0.581 (6):0.419 (6). Intra­molecular C—H⋯O inter­actions help to establish the mol­ecula...

Descripción completa

Detalles Bibliográficos
Autores principales: Shafiq, Muhammad, Tahir, M. Nawaz, Khan, Islam Ullah, Arshad, Muhammad Nadeem, Haider, Zeeshan
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2980136/
https://www.ncbi.nlm.nih.gov/pubmed/21580129
http://dx.doi.org/10.1107/S1600536809054920
_version_ 1782191586164080640
author Shafiq, Muhammad
Tahir, M. Nawaz
Khan, Islam Ullah
Arshad, Muhammad Nadeem
Haider, Zeeshan
author_facet Shafiq, Muhammad
Tahir, M. Nawaz
Khan, Islam Ullah
Arshad, Muhammad Nadeem
Haider, Zeeshan
author_sort Shafiq, Muhammad
collection PubMed
description The asymmetric unit of the title compound, C(12)H(17)NO(4)S, contains two mol­ecules, both of which show disorder of the two terminal C atoms of the propyl chain over two sets of sites with an occupancy ratio of 0.581 (6):0.419 (6). Intra­molecular C—H⋯O inter­actions help to establish the mol­ecular conformations: in one mol­ecule, the dihedral angle between the methyl ester group and the benzene ring is 41.0 (2)°, whereas in the other mol­ecule it is 36.12 (17)°. In the crystal, mol­ecules are linked by inter­molecular C—H⋯O and C—H⋯π inter­actions.
format Text
id pubmed-2980136
institution National Center for Biotechnology Information
language English
publishDate 2009
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-29801362010-12-30 Methyl 2-[(methyl­sulfon­yl)(prop­yl)amino]benzoate Shafiq, Muhammad Tahir, M. Nawaz Khan, Islam Ullah Arshad, Muhammad Nadeem Haider, Zeeshan Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title compound, C(12)H(17)NO(4)S, contains two mol­ecules, both of which show disorder of the two terminal C atoms of the propyl chain over two sets of sites with an occupancy ratio of 0.581 (6):0.419 (6). Intra­molecular C—H⋯O inter­actions help to establish the mol­ecular conformations: in one mol­ecule, the dihedral angle between the methyl ester group and the benzene ring is 41.0 (2)°, whereas in the other mol­ecule it is 36.12 (17)°. In the crystal, mol­ecules are linked by inter­molecular C—H⋯O and C—H⋯π inter­actions. International Union of Crystallography 2009-12-24 /pmc/articles/PMC2980136/ /pubmed/21580129 http://dx.doi.org/10.1107/S1600536809054920 Text en © Shafiq et al. 2010 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
Shafiq, Muhammad
Tahir, M. Nawaz
Khan, Islam Ullah
Arshad, Muhammad Nadeem
Haider, Zeeshan
Methyl 2-[(methyl­sulfon­yl)(prop­yl)amino]benzoate
title Methyl 2-[(methyl­sulfon­yl)(prop­yl)amino]benzoate
title_full Methyl 2-[(methyl­sulfon­yl)(prop­yl)amino]benzoate
title_fullStr Methyl 2-[(methyl­sulfon­yl)(prop­yl)amino]benzoate
title_full_unstemmed Methyl 2-[(methyl­sulfon­yl)(prop­yl)amino]benzoate
title_short Methyl 2-[(methyl­sulfon­yl)(prop­yl)amino]benzoate
title_sort methyl 2-[(methyl­sulfon­yl)(prop­yl)amino]benzoate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2980136/
https://www.ncbi.nlm.nih.gov/pubmed/21580129
http://dx.doi.org/10.1107/S1600536809054920
work_keys_str_mv AT shafiqmuhammad methyl2methylsulfonylpropylaminobenzoate
AT tahirmnawaz methyl2methylsulfonylpropylaminobenzoate
AT khanislamullah methyl2methylsulfonylpropylaminobenzoate
AT arshadmuhammadnadeem methyl2methylsulfonylpropylaminobenzoate
AT haiderzeeshan methyl2methylsulfonylpropylaminobenzoate

Ejemplares similares