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2-[(E)-2-(4-Ethoxy-phen-yl)ethen-yl]-1-methyl-quinolinium iodide dihydrate.

ABSTRACT: In the title compound, C(20)H(20)NO(+)·I(-)·2H(2)O, the cation is almost planar (r.m.s. deviation = 0.038?Å) and exists in an E configuration. The dihedral angle between the quinolinium ring system and the benzene ring is 0.7?(4)°. In the crystal structure, the cations are stacked in an anti-parallel manner along [100] with ?-? inter-actions between the pyridinium and ethoxy-benzene rings [centroid-centroid distance = 3.678?(5)?Å]. The cations, iodide anions and water mol-ecules are linked together through O-H?O, O-H?I and C-H?I hydrogen bonds into a two-dimensional network parallel to (001).

SUBMITTER: Fun HK

PROVIDER: S-EPMC2984024 | biostudies-literature | 2010 Mar

REPOSITORIES: biostudies-literature

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2-[(E)-2-(4-Ethoxy-phen-yl)ethen-yl]-1-methyl-quinolinium iodide dihydrate.

Fun Hoong-Kun HK Chanawanno Kullapa K Kobkeatthawin Thawanrat T Chantrapromma Suchada S

Acta crystallographica. Section E, Structure reports online 20100327 Pt 4

In the title compound, C(20)H(20)NO(+)·I(-)·2H(2)O, the cation is almost planar (r.m.s. deviation = 0.038 Å) and exists in an E configuration. The dihedral angle between the quinolinium ring system and the benzene ring is 0.7 (4)°. In the crystal structure, the cations are stacked in an anti-parallel manner along [100] with π-π inter-actions between the pyridinium and ethoxy-benzene rings [centroid-centroid distance = 3.678 (5) Å]. The cations, iodide anions and water mol-ecules are linked toget ...[more]

PMID: 21580746

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