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(E)-2-[2-(4-Chloro-benzyl-idene)hydrazin-1-yl]-4-{[3-(dimethyl-aza-nium-yl)prop-yl]amino}-quinazolin-1-ium bis-(perchlorate).

ABSTRACT: In the title compound, C(20)H(25)ClN(6) (2+)·2ClO(4) (-), the organic cation is roughly planar, as shown by the dihedral angle of 3.78?(3)° between the quinazoline and chloro-phenyl rings. The quinazoline ring is itself approximately planar, with an average deviation of 0.018?(4)?Å. The organic cation adopts an E configuration with respect to the C= N double bond of the hyrazinyl group. The (dimethyl-aza-nium-yl)propyl-amino side chain is disordered over two sets of sites with occupancies of 0.768?(10) and 0.232?(10). In the crystal, two cations and four anions are linked by strong N-H?O hydrogen bonds. Weak C-H?O hydrogen bonds exist among these aggregates.

SUBMITTER: Jiang N

PROVIDER: S-EPMC3344656 | biostudies-literature | 2012 May

REPOSITORIES: biostudies-literature

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(E)-2-[2-(4-Chloro-benzyl-idene)hydrazin-1-yl]-4-{[3-(dimethyl-aza-nium-yl)prop-yl]amino}-quinazolin-1-ium bis-(perchlorate).

Jiang Nan N Zuo Jian J Wang Haiyan H Han Ming M Zhai Xin X

Acta crystallographica. Section E, Structure reports online 20120428 Pt 5

In the title compound, C(20)H(25)ClN(6) (2+)·2ClO(4) (-), the organic cation is roughly planar, as shown by the dihedral angle of 3.78 (3)° between the quinazoline and chloro-phenyl rings. The quinazoline ring is itself approximately planar, with an average deviation of 0.018 (4) Å. The organic cation adopts an E configuration with respect to the C= N double bond of the hyrazinyl group. The (dimethyl-aza-nium-yl)propyl-amino side chain is disordered over two sets of sites with occupancies of 0.7 ...[more]

PMID: 22590418

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