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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

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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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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-(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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