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4-Phenyl-1H-imidazole-2(3H)-thione.

Owczarzak AM, Kubicki M - Acta Crystallogr Sect E Struct Rep Online (2012)

Bottom Line: The geometrical features of these mol-ecules are quite similar: in the normal probability plots the R(2) correlation factors for bond lengths and angles are generally around 0.95.The twist angles between the imidazole and phenyl rings (which are planar within 3σ) range from 9.0 (6) to 13.1 (5)°.Second-order hydrogen-bonded R(2) (2)(8) rings are formed via inter-weaving infinite C(2) (2)(8) chains.

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Affiliation: Department of Chemistry, Adam Mickiewicz University, Grunwaldzka 6, 60-780 Poznań, Poland.

ABSTRACT
In the asymmetric unit of the title compound, C(9)H(8)N(2)S, there are four symmetry-independent mol-ecules (Z' = 4). The geometrical features of these mol-ecules are quite similar: in the normal probability plots the R(2) correlation factors for bond lengths and angles are generally around 0.95. The twist angles between the imidazole and phenyl rings (which are planar within 3σ) range from 9.0 (6) to 13.1 (5)°. In the crystal, pairs of independent molecules are joined by linear N-H⋯S and weak C-H⋯S hydrogen bonds, forming infinite ribbons, of the type ∼ABABAB∼ and ∼CDCDCD∼, propagating along [110]. Second-order hydrogen-bonded R(2) (2)(8) rings are formed via inter-weaving infinite C(2) (2)(8) chains.

No MeSH data available.


Anisotropic displacement ellipsoid representation of the molecule 1 A,The ellipsoids are drawn at the 50% probability level.
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Fap1: Anisotropic displacement ellipsoid representation of the molecule 1 A,The ellipsoids are drawn at the 50% probability level.


4-Phenyl-1H-imidazole-2(3H)-thione.

Owczarzak AM, Kubicki M - Acta Crystallogr Sect E Struct Rep Online (2012)

Anisotropic displacement ellipsoid representation of the molecule 1 A,The ellipsoids are drawn at the 50% probability level.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC3379282&req=5

Fap1: Anisotropic displacement ellipsoid representation of the molecule 1 A,The ellipsoids are drawn at the 50% probability level.
Bottom Line: The geometrical features of these mol-ecules are quite similar: in the normal probability plots the R(2) correlation factors for bond lengths and angles are generally around 0.95.The twist angles between the imidazole and phenyl rings (which are planar within 3σ) range from 9.0 (6) to 13.1 (5)°.Second-order hydrogen-bonded R(2) (2)(8) rings are formed via inter-weaving infinite C(2) (2)(8) chains.

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Chemistry, Adam Mickiewicz University, Grunwaldzka 6, 60-780 Poznań, Poland.

ABSTRACT
In the asymmetric unit of the title compound, C(9)H(8)N(2)S, there are four symmetry-independent mol-ecules (Z' = 4). The geometrical features of these mol-ecules are quite similar: in the normal probability plots the R(2) correlation factors for bond lengths and angles are generally around 0.95. The twist angles between the imidazole and phenyl rings (which are planar within 3σ) range from 9.0 (6) to 13.1 (5)°. In the crystal, pairs of independent molecules are joined by linear N-H⋯S and weak C-H⋯S hydrogen bonds, forming infinite ribbons, of the type ∼ABABAB∼ and ∼CDCDCD∼, propagating along [110]. Second-order hydrogen-bonded R(2) (2)(8) rings are formed via inter-weaving infinite C(2) (2)(8) chains.

No MeSH data available.