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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.


The hydrogen-bonded ribbon of molecules A and B (molecules C and D are joined into almost identical structure). Hydrogen bonds are shown as dashed lines, symmetry codes:; (i) -1/2 + x,-1/2 + y,z; (ii) 1/2 + x,1/2 + y,z..
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Fap2: The hydrogen-bonded ribbon of molecules A and B (molecules C and D are joined into almost identical structure). Hydrogen bonds are shown as dashed lines, symmetry codes:; (i) -1/2 + x,-1/2 + y,z; (ii) 1/2 + x,1/2 + y,z..


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

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

The hydrogen-bonded ribbon of molecules A and B (molecules C and D are joined into almost identical structure). Hydrogen bonds are shown as dashed lines, symmetry codes:; (i) -1/2 + x,-1/2 + y,z; (ii) 1/2 + x,1/2 + y,z..
© Copyright Policy - open-access
Related In: Results  -  Collection

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

Fap2: The hydrogen-bonded ribbon of molecules A and B (molecules C and D are joined into almost identical structure). Hydrogen bonds are shown as dashed lines, symmetry codes:; (i) -1/2 + x,-1/2 + y,z; (ii) 1/2 + x,1/2 + y,z..
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.