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5,7-Dimethyl-2,3-dihydro-1H-1,4-diazepin-4-ium picrate.

ABSTRACT: In the cation of the title compound, C(7)H(13)N(2) (+)·C(6)H(2)N(3)O(7) (-), the seven-membered 1,4-diazepine ring forms a twist chair conformation. The two o-nitro groups in the anion are twisted by 35.0?(7) and 36.0?(9)° from the benzene ring. In the crystal, N-H?O hydrogen bonds between the cation and anion along with weak C-H?O hydrogen bonds produce chains along the b axis. C-H?O hydrogen bonds connecting the chains are also present.

SUBMITTER: Jasinski JP

PROVIDER: S-EPMC2979234 | biostudies-literature | 2010 Apr

REPOSITORIES: biostudies-literature

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5,7-Dimethyl-2,3-dihydro-1H-1,4-diazepin-4-ium picrate.

Jasinski Jerry P JP Butcher Ray J RJ Yathirajan H S HS Narayana B B Prakash Kamath K K

Acta crystallographica. Section E, Structure reports online 20100428 Pt 5

In the cation of the title compound, C(7)H(13)N(2) (+)·C(6)H(2)N(3)O(7) (-), the seven-membered 1,4-diazepine ring forms a twist chair conformation. The two o-nitro groups in the anion are twisted by 35.0 (7) and 36.0 (9)° from the benzene ring. In the crystal, N-H⋯O hydrogen bonds between the cation and anion along with weak C-H⋯O hydrogen bonds produce chains along the b axis. C-H⋯O hydrogen bonds connecting the chains are also present. ...[more]

PMID: 21579226

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(E)-5-(2-Chloro-phen-yl)-7-ethyl-2-oxo-2,3-dihydro-1H-thieno[2,3-e][1,4]diazepin-4-ium 2,4,6-trinitro-phenolate.

Project description:In the title molecular salt, C(15)H(14)ClN(2)OS(+)·C(6)H(2)N(3)O(7) (-), protonation occurred on the double-bonded N atom. One of the nitro groups shows slight disorder over two orientations, with an occupancy ratio of 0.91:0.09. In the crystal, classical N-H?O hydrogen bonds, as well as C-H?O contacts connect the components into a three-dimensional network. The seven-membered ring adopts a boat-like conformation. The least-squares plane defined by its non-H atoms encloses an angle of 38.99?(6)° with the benzene ring bonded to it.

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4-((E)-{2-[N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carboximido-yl]benzyl-idene}amino)-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one.

Project description:The title compound, C(30)H(28)N(6)O(2), is a symmetric diimine derived from ortho-dibenzaldehyde. Both C=N bonds are (E)-configured. The terminal N-bonded phenyl groups adopt staggered conformations relative to their respective parent heterocycles, the relevant least-squares planes inter-sect at angles of 32.35?(11) and 38.59?(10)°. In the crystal, C-H?O contacts connect the mol-ecules into chains along the b axis and give rise to a C(1) (1)(14)C(1) (1)(14) and a R(2) (2)(12) pattern on different levels of graph-set analysis. The shortest inter-centroid distance between two centroids was found at 4.2074?(11)?Å between the two five-membered heterocycles.

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