Limits...
3-(Adamantan-1-yl)-4-methyl-1-[(4-phenyl-piperazin-1-yl)meth-yl]-1H-1,2,4-triazole-5(4H)-thione dichloro-methane hemisolvate.

El-Emam AA, Al-Omar MA, Al-Tamimi AM, Ng SW, Tiekink ER - Acta Crystallogr Sect E Struct Rep Online (2012)

Bottom Line: The piperazine residue is almost normal to the triazole ring [N-N-C-N torsion angle = -79.9 (3)°] so that to a first approximation, the mol-ecule has an L-shape.Linear supra-molecular chains parallel to [001] are formed via C-H⋯S inter-actions.Two such chains are linked into a double chain via C-H⋯Cl inter-actions involving the disordered CH(2)Cl(2) mol-ecules of solvation.

View Article: PubMed Central - HTML - PubMed

ABSTRACT
The asymmetric unit of the title dichloro-methane hemisolvate, C(24)H(33)N(5)S·0.5CH(2)Cl(2), comprises an adamantan-yl/triazole derivative and half a CH(2)Cl(2) mol-ecule of crystallization; the latter is disordered about a twofold axis of symmetry. The piperazine ring has a chair conformation and the two N-bound substituents occupy equatorial positions. The piperazine residue is almost normal to the triazole ring [N-N-C-N torsion angle = -79.9 (3)°] so that to a first approximation, the mol-ecule has an L-shape. Linear supra-molecular chains parallel to [001] are formed via C-H⋯S inter-actions. Two such chains are linked into a double chain via C-H⋯Cl inter-actions involving the disordered CH(2)Cl(2) mol-ecules of solvation.

No MeSH data available.


Related in: MedlinePlus

A view of the linear supramolecular double chain in (I). The C—H···S and C—H···Cl contacts are shown as orange and blue dashed lines, respectively. The CH2Cl2 molecule is disordered over two position; both orientations are displayed.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
getmorefigures.php?uid=PMC3379353&req=5

Fap2: A view of the linear supramolecular double chain in (I). The C—H···S and C—H···Cl contacts are shown as orange and blue dashed lines, respectively. The CH2Cl2 molecule is disordered over two position; both orientations are displayed.


3-(Adamantan-1-yl)-4-methyl-1-[(4-phenyl-piperazin-1-yl)meth-yl]-1H-1,2,4-triazole-5(4H)-thione dichloro-methane hemisolvate.

El-Emam AA, Al-Omar MA, Al-Tamimi AM, Ng SW, Tiekink ER - Acta Crystallogr Sect E Struct Rep Online (2012)

A view of the linear supramolecular double chain in (I). The C—H···S and C—H···Cl contacts are shown as orange and blue dashed lines, respectively. The CH2Cl2 molecule is disordered over two position; both orientations are displayed.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC3379353&req=5

Fap2: A view of the linear supramolecular double chain in (I). The C—H···S and C—H···Cl contacts are shown as orange and blue dashed lines, respectively. The CH2Cl2 molecule is disordered over two position; both orientations are displayed.
Bottom Line: The piperazine residue is almost normal to the triazole ring [N-N-C-N torsion angle = -79.9 (3)°] so that to a first approximation, the mol-ecule has an L-shape.Linear supra-molecular chains parallel to [001] are formed via C-H⋯S inter-actions.Two such chains are linked into a double chain via C-H⋯Cl inter-actions involving the disordered CH(2)Cl(2) mol-ecules of solvation.

View Article: PubMed Central - HTML - PubMed

ABSTRACT
The asymmetric unit of the title dichloro-methane hemisolvate, C(24)H(33)N(5)S·0.5CH(2)Cl(2), comprises an adamantan-yl/triazole derivative and half a CH(2)Cl(2) mol-ecule of crystallization; the latter is disordered about a twofold axis of symmetry. The piperazine ring has a chair conformation and the two N-bound substituents occupy equatorial positions. The piperazine residue is almost normal to the triazole ring [N-N-C-N torsion angle = -79.9 (3)°] so that to a first approximation, the mol-ecule has an L-shape. Linear supra-molecular chains parallel to [001] are formed via C-H⋯S inter-actions. Two such chains are linked into a double chain via C-H⋯Cl inter-actions involving the disordered CH(2)Cl(2) mol-ecules of solvation.

No MeSH data available.


Related in: MedlinePlus