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

ABSTRACT: In the title mol-ecular 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.

SUBMITTER: Mehdi SH

PROVIDER: S-EPMC3006776 | biostudies-literature | 2010 Jun

REPOSITORIES: biostudies-literature

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

Mehdi Sayed Hasan SH Sulaiman Othman O Ghalib Raza Murad RM Yeap Chin Sing CS Fun Hoong-Kun HK

Acta crystallographica. Section E, Structure reports online 20100626 Pt 7

In the title mol-ecular 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 conta ...[more]

PMID: 21588044

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