2,2,4-Trimethyl-7-nitro-2,3-dihydro-1H-1,5-benzodiazepin-5-ium perchlorate

In the title mol­ecular salt, C(12)H(16)N(3)O(2) (+)·ClO(4) (−), the nitro group is close to being coplanar with the benzene ring [dihedral angle = 8.1 (3)°]. The seven-membered ring has a maximum deviation of 0.502 (3) Å at the C atom between the dimethyl- and methyl-substituted C atoms. In the cry...

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Autores principales: Mehdi, Sayed Hasan, Sulaiman, Othman, Ghalib, Raza Murad, Yeap, Chin Sing, Fun, Hoong-Kun
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3006776/
https://www.ncbi.nlm.nih.gov/pubmed/21588044
http://dx.doi.org/10.1107/S1600536810024475
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author Mehdi, Sayed Hasan
Sulaiman, Othman
Ghalib, Raza Murad
Yeap, Chin Sing
Fun, Hoong-Kun
author_facet Mehdi, Sayed Hasan
Sulaiman, Othman
Ghalib, Raza Murad
Yeap, Chin Sing
Fun, Hoong-Kun
author_sort Mehdi, Sayed Hasan
collection PubMed
description In the title mol­ecular salt, C(12)H(16)N(3)O(2) (+)·ClO(4) (−), the nitro group is close to being coplanar with the benzene ring [dihedral angle = 8.1 (3)°]. The seven-membered ring has a maximum deviation of 0.502 (3) Å at the C atom between the dimethyl- and methyl-substituted C atoms. In the crystal, the components are linked into infinite sheets lying parallel to the bc plane by N—H⋯O and C—H⋯O hydrogen bonds. A short O⋯N contact of 2.896 (4) Å occurs within the sheets and a short O⋯O contact of 2.608 (4) Å occurs between the sheets.
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spelling pubmed-30067762010-12-30 2,2,4-Trimethyl-7-nitro-2,3-dihydro-1H-1,5-benzodiazepin-5-ium perchlorate Mehdi, Sayed Hasan Sulaiman, Othman Ghalib, Raza Murad Yeap, Chin Sing Fun, Hoong-Kun Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title mol­ecular salt, C(12)H(16)N(3)O(2) (+)·ClO(4) (−), the nitro group is close to being coplanar with the benzene ring [dihedral angle = 8.1 (3)°]. The seven-membered ring has a maximum deviation of 0.502 (3) Å at the C atom between the dimethyl- and methyl-substituted C atoms. In the crystal, the components are linked into infinite sheets lying parallel to the bc plane by N—H⋯O and C—H⋯O hydrogen bonds. A short O⋯N contact of 2.896 (4) Å occurs within the sheets and a short O⋯O contact of 2.608 (4) Å occurs between the sheets. International Union of Crystallography 2010-06-26 /pmc/articles/PMC3006776/ /pubmed/21588044 http://dx.doi.org/10.1107/S1600536810024475 Text en © Mehdi 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
Mehdi, Sayed Hasan
Sulaiman, Othman
Ghalib, Raza Murad
Yeap, Chin Sing
Fun, Hoong-Kun
2,2,4-Trimethyl-7-nitro-2,3-dihydro-1H-1,5-benzodiazepin-5-ium perchlorate
title 2,2,4-Trimethyl-7-nitro-2,3-dihydro-1H-1,5-benzodiazepin-5-ium perchlorate
title_full 2,2,4-Trimethyl-7-nitro-2,3-dihydro-1H-1,5-benzodiazepin-5-ium perchlorate
title_fullStr 2,2,4-Trimethyl-7-nitro-2,3-dihydro-1H-1,5-benzodiazepin-5-ium perchlorate
title_full_unstemmed 2,2,4-Trimethyl-7-nitro-2,3-dihydro-1H-1,5-benzodiazepin-5-ium perchlorate
title_short 2,2,4-Trimethyl-7-nitro-2,3-dihydro-1H-1,5-benzodiazepin-5-ium perchlorate
title_sort 2,2,4-trimethyl-7-nitro-2,3-dihydro-1h-1,5-benzodiazepin-5-ium perchlorate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3006776/
https://www.ncbi.nlm.nih.gov/pubmed/21588044
http://dx.doi.org/10.1107/S1600536810024475
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