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1,4-Bis[(1H-pyrazol-1-yl)meth-yl]benzene.

ABSTRACT: In the title compound, C(14)H(14)N(4), the center of the phenyl-ene group is a crystallographic center of inversion. The compound is composed of three aromatic rings displaying a Z-like conformation. The dihedral angle between the pyrazole rings and the central phenyl ring is 83.84 (9)°.

SUBMITTER: Dong GY

PROVIDER: S-EPMC3151929 | biostudies-literature |

REPOSITORIES: biostudies-literature

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1,4-Bis[(1H-pyrazol-1-yl)meth-yl]benzene dihydrate.

Project description:The asymmetric unit of the title compound, C(14)H(14)N(4)·2H(2)O consists of two half-mol-ecules of the main mol-ecule, each situated on an inversion center, and two mol-ecules of water. One-dimensional chains of water mol-ecules are built up by O-H⋯O hydrogen bonds which are then linked with the main mol-ecule via O-H⋯N hydrogen bonds, forming a two-dimensional supra-molecular network in the ac plane.

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Project description:The title compound, C(38)H(30)N(4), a potentially mono- and bidentate ligand, does not seem to form palladium complexes similar to other poly(pyrazol-1-ylmeth-yl)benzenes due to the large steric size of the phenyl substituents on the pyrazole rings. The pyrazole rings have a 21.09?(5)° angle between their mean planes and exhibit a trans-like geometry in which the in-plane lone pairs of electrons on the 2-N nitrogen atoms point in opposite directions.

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4-[Bis(3-phenyl-1H-pyrazol-1-yl)meth-yl]benzene-1,2-diol.

Project description:The title compound, C(25)H(20)N(4)O(2), is a ditopic ortho-hydro-quinone-based bis-(pyrazol-1-yl)methane ligand. The dihedral angles between the planes of the pyrazole rings and their attached phenyl rings are 17.4?(3) and 5.9?(4)°. The pyrazole rings make a dihedral angle of 87.84?(16)°. One of the two hy-droxy groups forms an intra-molecular hydrogen bond to the other hy-droxy group, whereas the second is involved in an inter-molecular O-H?N hydrogen bond. As a result of these inter-molecular hydrogen bonds, helical chains running along the b axis are formed.

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{1,2-Bis[(3,5-dimethyl-1H-pyrazol-1-yl-?N)meth-yl]benzene}-dichloridozinc(II).

Project description:The title zinc complex, [ZnCl(2)(C(18)H(22)N(4))], contains a bidentate 1,2-bis(3,5-dimethyl-1H-pyrazol-1-ylmeth-yl)benz-ene ligand that binds to the zinc atom, forming a nine-membered metallocyclic ring. The geometry about the Zn atom is distorted tetra-hedral, with the largest deviation observed in the magnitude of the Cl-Zn-Cl angle. Similar distortions are observed in the cobalt analogue and related zinc compounds containing metallocyclic rings with more than six members. The copper analogue exhibits a more severe distortion of the metal coordination sphere than is observed in the title compound.

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1,4-Bis(fluoro-meth-yl)benzene.

Project description:The title compound, C(8)H(8)F(2), lies across a crystallographic inversion centre. The structure features short C?F [2.8515?(18)?Å] and F?F [2.490?(4)?Å] contacts, which are significantly shorter than the sum of the van der Waals radii of these atoms. The F atom and methyl-ene H atoms are disordered over two positions with a site-occupancy ratio of 0.633?(3):0.367?(3). In the crystal structure, inter-molecular C-H?F inter-actions link neighboring mol-ecules into infinite chains along the b axis. In addition, C-H?? inter-actions link these mol-ecules along [10], forming a two-dimensional network parallel to (101).

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1,4-Bis(iodo-meth-yl)benzene.

Project description:The centrosymmetric title compound, C(8)H(8)I(2), was prepared by metathesis from the dibromo analogue. In the crystal structure, weak C-H?I inter-actions link the mol-ecules into stacks down the b axis. The structure is further stabilized by short I?I contacts [3.8433?(2)?Å], forming undulating sheets in the (101) plane.

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1,4-Bis(1H-benzimidazol-1-yl)benzene.

Project description:In the title compound, C(20)H(14)N(4), the dihedral angles between the central benzene ring and the pendant benzimidazole ring systems are 46.60 (15) and 47.89 (16)°. The dihedral angle between the benzimidazole ring systems is 85.62 (12)° and the N atoms lie to the same side of the mol-ecule. In the crystal, mol-ecules are linked by C-H⋯N inter-actions and weak aromatic π-π stacking [shortest centroid-centroid separation = 3.770 (2) Å] is observed.

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1,4-Bis(3-pyridylmethyl-eneamino-meth-yl)benzene.

Project description:The title compound, C(20)H(18)N(4), is a flexible 3,3'-bipyridyl-type ligand with a long spacer group between the two pyridyl functions. The mol-ecule crystallizes around an inversion center, with one half-mol-ecule in the asymmetric unit and a dihedral angle of 71.85?(8)° between the pyridine ring and the central benzene ring.

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2,3-Bis(bromo-meth-yl)-1,4-diphenyl-benzene.

Project description:In the title compound, C(20)H(16)Br(2), the terminal phenyl groups are twisted away from the central ring by approximately 55 and -125° (average of four dihedral angles each), respectively. The crystal structure is stabilized by a combination of inter-molecular and intra-molecular inter-actions including inter-molecular ?-? stacking inter-actions [C atoms of closest contact = 3.423?(5)?Å].

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1,4-Bis[(2-ethyl-1H-benzimidazol-1-yl)meth-yl]benzene.

Project description:In the title mol-ecule, C(26)H(26)N(4), the central benzene ring forms dihedral angles of 89.9?(2) and 85.4?(2)° with the two benzimidazole rings.

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