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3,3'-[1,4-Phenyl-enebis(methyl-ene)]-bis-(1-propyl-benzimidazolium) dichloride dihydrate.

ABSTRACT: The asymmetric unit of the title compound, C(28)H(32)N(4) (2+)·2Cl(-)·2H(2)O, contains half of a 3,3'-[1,4-phenyl-enebis(methyl-ene)]bis-(1-propyl-benzimidazolium) cation, one chloride anion and one water mol-ecule. The complete cation is generated by a crystallographic inversion center. The central benzene ring forms a dihedral angle of 66.06?(11)° with its adjacent benzimidazolium ring system. In the crystal, the cations, anions and water mol-ecules are linked by O-H?Cl, C-H?O and C-H?Cl hydrogen bonds into a three-dimensional network. The crystal packing is further stabilized by ?-? inter-actions, with centroid-centroid distances of 3.5561?(15) and 3.6708?(15)?Å.

SUBMITTER: Haque RA

PROVIDER: S-EPMC3297903 | biostudies-other | 2012 Mar

REPOSITORIES: biostudies-other

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3,3'-[1,4-Phenyl-enebis(methyl-ene)]-bis-(1-propyl-benzimidazolium) dichloride dihydrate.

Haque Rosenani A RA Iqbal Muhammad Adnan MA Iqbal Muhammad Adnan MA Ahmad Safaa A SA Chia Tze Shyang TS Fun Hoong-Kun HK

Acta crystallographica. Section E, Structure reports online 20120224 Pt 3

The asymmetric unit of the title compound, C(28)H(32)N(4) (2+)·2Cl(-)·2H(2)O, contains half of a 3,3'-[1,4-phenyl-enebis(methyl-ene)]bis-(1-propyl-benzimidazolium) cation, one chloride anion and one water mol-ecule. The complete cation is generated by a crystallographic inversion center. The central benzene ring forms a dihedral angle of 66.06 (11)° with its adjacent benzimidazolium ring system. In the crystal, the cations, anions and water mol-ecules are linked by O-H⋯Cl, C-H⋯O and C-H⋯Cl hydro ...[more]

PMID: 22412706

Similar Datasets

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

Project description: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?? and ?-? inter-actions [shortest centroid-centroid distance = 3.646?(4)?Å].

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

Project description:In the title mol-ecular salt, C(26)H(28)N(4) (2+)·2Br(-), the central benzene ring makes dihedral angles of 76.75?(11) and 82.40?(10)° with the pendant benzimidazole rings. The corresponding angle between the benzimidazole rings is 57.03?(9)°. In the crystal, the cations and anions are linked via C-H?Br hydrogen bonds, forming sheets lying parallel to the bc plane. The crystal structure also features weak C-H?? inter-actions.

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Project description:In the title salt, C(36)H(48)N(4) (2+)·2Br(-)·H(2)O, the central benzene ring makes dihedral angles of 84.77?(9) and 69.92?(7)° with the adjacent imidazole rings. In the crystal, one of the heptyl groups is disordered over two sets of sites with an occupancy ratio of 0.474?(5):0.526?(5). In the crystal, the cations, anions and water mol-ecules are connected via inter-molecular O-H?Br, C-H?Br and C-H?O hydrogen bonds, forming a three-dimensional network.

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1,1'-{2,2'-[1,4-Phenyl-enebis(methyl-ene)]bis-(-oxy)bis-(2,1-phenyl-ene)}diethanone.

Project description:The asymmetric unit of the title compound, C(24)H(22)O(4), contains one half-mol-ecule, the other half being generated by a crystallographic center of inversion. The central benzene ring makes a dihedral angle of 72.49?(5)° with the terminal benzene ring. In the crystal, adjacent mol-ecules are linked through C-H?O inter-actions, forming a sheet structure parallel to the bc plane. The sheets are stacked along the a axis via ?-? inter-actions formed between the terminal benzene rings [centroid-centroid separation = 3.7276?(6)?Å].

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[1,4-Phenyl-enebis(methyl-ene)]bis-(tri-phenyl-phospho-nium) bis-(tetra-fluoro-borate).

Project description:The crystal structure of the title salt, C(44)H(38)P(2) (2+)2BF(4) (-), consists of discrete dications inter-laced with the BF(4) (-) counter-ions. In each cation, both phospho-nium groups lie on the same side of the plane of the central benzene ring. The tetra-fluoro-borate anions are involved in intensive thermal motion, thus some B-F bond lengths [range 1.329?(6) to 1.391?(6)?Å] deviate significantly from their standard values.

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1,4-Phenyl-enebis(methyl-ene) dicarbamate.

Project description:The title compound, C(10)H(12)N(2)O(4), is a phenyl dicarbamate with crystallographically imposed inversion symmetry. The dihedral angle between the carbamo-yloxy plane [i.e. the plane of the N-C(O)-O fragment; r.m.s. deviation = 0.002?(3)?Å] and the plane of the aryl ring is 29.2?(1)°. In the crystal, two different centrosymmetric N-H?O hydrogen-bond inter-actions are observed; these are described as R(2) (2)(8) and R(2) (4)(8) in graph-set notation. The rings form an alternating sequence, linking the mol-ecules into a sheet structure parallel to (011).

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1,1'-{[1,4-Phenyl-enebis(methyl-ene)]bis-(-oxy)bis-(3,1-phenyl-ene)}diethanone.

Project description:In the title compound, C(24)H(22)O(4), the centroid of the central benzene ring lies on a special position of 2/m site symmetry, while the terminal aromatic rings are located on a mirror plane. The central and terminal benzene rings are perpendic-ular to each other. In the crystal, the mol-ecules are connected via C-H?O hydrogen bonds into a three-dimensional polymeric structure. The network is further consolidated by a C-H?? inter-action.

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1,1'-{[1,4-Phenyl-enebis(methyl-ene)]bis-(-oxy)bis-(4,1-phenyl-ene)}diethanone.

Project description:The centroid of the central aromatic ring of the title mol-ecule, C(24)H(22)O(4), is located on an inversion center. The dihedral angle between the central and terminal benzene rings is 75.00?(7)°. In the crystal, mol-ecules are linked through C-H?O hydrogen bonds into chains along [121]. The chains are connected into layers via C-H?? inter-actions.

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3,3'-Bis(quinolin-8-yl)-1,1'-[4,4'-methyl-enebis(4,1-phenyl-ene)]diurea.

Project description:The title compound, C(33)H(26)N(6)O(2), contains two 3-(quinolin-8-yl)urea groups linked to a diphenyl-methane. The asymmetric unit contains two mol-ecules, A and B. Each quinoline plane is essentially parallel to the attached urea unit [dihedral angles = 8.97?(18) and 8.81?(19) in molecule A and 18.47?(18) and 4.09?(19)° in molecule B]. The two benzene rings are twisted, making dihedral angles of 81.36?(8)° in A and 87.20?(9)° in B. The molecular structures are stabilized by intramolecular N-H?N hydrogen bonds. In the crystal, each urea O atom is involved in two N-H?O hydrogen bonds, generating two inter-penetrating three-dimensional sets of mol-ecules.

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3,3'-Di-n-propyl-1,1'-[p-phenyl-enebis(methyl-ene)]diimidazolium dibromide.

Project description:The asymmetric unit of the title compound, C(20)H(28)N(4) (2+)·2Br(-), consists of half a 3,3'-di-n-propyl-1,1'-[p-phenyl-enenis(methyl-ene)]diimidazolium cation and a bromide anion. The cation is located on an inversion center and adopts an ?AAA? trans conformation. In the crystal, the cation is linked to the anions via weak C-H?Br hydrogen bonds.

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