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3,3'-[1,2-Phenyl-enebis(methyl-ene)]bis-(1-propyl-benzimidazolium) dibromide hemihydrate.

Iqbal MA, Haque RA, Fun HK, Chia TS - Acta Crystallogr Sect E Struct Rep Online (2012)

Bottom Line: The asymmetric unit of the title compound, C(28)H(32)N(4) (2+)·2Br(-)·0.5H(2)O, contains one 3,3'-[1,2-phenyl-enebis(methyl-ene)]bis-(1-propyl-benzimidazolium) cation, two bromide anions and one half-mol-ecule of water.For the major component of the disordered cation, the central benzene ring forms dihedral angles of 83.6 (5) and 88.2 (4)° with its adjacent imidazole rings, while these angles for the minor component are 89.2 (15) and 84.9 (13)°.The crystal packing is further stabilized by C-H⋯π and π-π inter-actions [shortest centroid-centroid distance = 3.646 (4) Å].

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ABSTRACT
The asymmetric unit of the title compound, C(28)H(32)N(4) (2+)·2Br(-)·0.5H(2)O, contains one 3,3'-[1,2-phenyl-enebis(methyl-ene)]bis-(1-propyl-benzimidazolium) cation, two bromide anions and one half-mol-ecule of water. In the crystal, the whole 3,3'-[1,2-phen-yl-enebis(methyl-ene)]bis-(1-propyl-benzimidazolium) cation and one of the bromide anions are each disordered over two positions with site-occupancy ratios of 0.751 (6):0.249 (6) and 0.680 (8):0.320 (8). For the major component of the disordered cation, the central benzene ring forms dihedral angles of 83.6 (5) and 88.2 (4)° with its adjacent imidazole rings, while these angles for the minor component are 89.2 (15) and 84.9 (13)°. In the crystal, the cations and anions are linked by C-H⋯Br hydrogen bonds into dimers and then stacked along the c axis. The crystal packing is further stabilized by C-H⋯π and π-π inter-actions [shortest centroid-centroid distance = 3.646 (4) Å].

No MeSH data available.


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The crystal packing of the title compound. Only the major disordered component is shown. Intermolecular hydrogen bonds are shown as dashed lines and those hydrogen atoms which are not involved in hydrogen bonding are omitted for clarity.
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Fap2: The crystal packing of the title compound. Only the major disordered component is shown. Intermolecular hydrogen bonds are shown as dashed lines and those hydrogen atoms which are not involved in hydrogen bonding are omitted for clarity.


3,3'-[1,2-Phenyl-enebis(methyl-ene)]bis-(1-propyl-benzimidazolium) dibromide hemihydrate.

Iqbal MA, Haque RA, Fun HK, Chia TS - Acta Crystallogr Sect E Struct Rep Online (2012)

The crystal packing of the title compound. Only the major disordered component is shown. Intermolecular hydrogen bonds are shown as dashed lines and those hydrogen atoms which are not involved in hydrogen bonding are omitted for clarity.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC3275219&req=5

Fap2: The crystal packing of the title compound. Only the major disordered component is shown. Intermolecular hydrogen bonds are shown as dashed lines and those hydrogen atoms which are not involved in hydrogen bonding are omitted for clarity.
Bottom Line: The asymmetric unit of the title compound, C(28)H(32)N(4) (2+)·2Br(-)·0.5H(2)O, contains one 3,3'-[1,2-phenyl-enebis(methyl-ene)]bis-(1-propyl-benzimidazolium) cation, two bromide anions and one half-mol-ecule of water.For the major component of the disordered cation, the central benzene ring forms dihedral angles of 83.6 (5) and 88.2 (4)° with its adjacent imidazole rings, while these angles for the minor component are 89.2 (15) and 84.9 (13)°.The crystal packing is further stabilized by C-H⋯π and π-π inter-actions [shortest centroid-centroid distance = 3.646 (4) Å].

View Article: PubMed Central - HTML - PubMed

ABSTRACT
The asymmetric unit of the title compound, C(28)H(32)N(4) (2+)·2Br(-)·0.5H(2)O, contains one 3,3'-[1,2-phenyl-enebis(methyl-ene)]bis-(1-propyl-benzimidazolium) cation, two bromide anions and one half-mol-ecule of water. In the crystal, the whole 3,3'-[1,2-phen-yl-enebis(methyl-ene)]bis-(1-propyl-benzimidazolium) cation and one of the bromide anions are each disordered over two positions with site-occupancy ratios of 0.751 (6):0.249 (6) and 0.680 (8):0.320 (8). For the major component of the disordered cation, the central benzene ring forms dihedral angles of 83.6 (5) and 88.2 (4)° with its adjacent imidazole rings, while these angles for the minor component are 89.2 (15) and 84.9 (13)°. In the crystal, the cations and anions are linked by C-H⋯Br hydrogen bonds into dimers and then stacked along the c axis. The crystal packing is further stabilized by C-H⋯π and π-π inter-actions [shortest centroid-centroid distance = 3.646 (4) Å].

No MeSH data available.


Related in: MedlinePlus