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Crystal structure of 4-({(1E,2E)-3-[3-(4-fluoro-phen-yl)-1-isopropyl-1H-indol-2-yl]allyl-idene}amino)-5-methyl-1H-1,2,4-triazole-5(4H)-thione.

Kulkarni AD, Rahman ML, Mohd Yusoff M, Kwong HC, Quah CK - Acta Crystallogr E Crystallogr Commun (2015)

Bottom Line: The title compound, C23H22FN5S, exists in a trans conformation with respect to the methene C=C and the acyclic N=C bonds.The 1,2,4-triazole-5(4H)-thione ring makes dihedral angles of 88.66 (9) and 84.51 (10)°, respectively, with the indole and benzene rings.The chains are linked via π-π inter-actions involving inversion-related triazole rings [centroid-centroid distance = 3.4340 (13) Å], forming layers parallel to the ab plane.

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Chemistry, KLS's Gogte Institute of Technology, Jnana Ganga, Udyambag, Belagavi 590 008 Karnataka, India.

ABSTRACT
The title compound, C23H22FN5S, exists in a trans conformation with respect to the methene C=C and the acyclic N=C bonds. The 1,2,4-triazole-5(4H)-thione ring makes dihedral angles of 88.66 (9) and 84.51 (10)°, respectively, with the indole and benzene rings. In the crystal, mol-ecules are linked by pairs of N-H⋯S hydrogen bonds, forming inversion dimers with an R 2 (2)(8) ring motif. The dimers are linked via C-H⋯π inter-actions, forming chains along [1-10]. The chains are linked via π-π inter-actions involving inversion-related triazole rings [centroid-centroid distance = 3.4340 (13) Å], forming layers parallel to the ab plane.

No MeSH data available.


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The crystal packing of the title compound viewed along the a axis. The N—H⋯S hydrogen bonds are shown as dashed lines (see Table 1 ▸). H atoms not involved in hydrogen bonding have been omitted for clarity.
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fig2: The crystal packing of the title compound viewed along the a axis. The N—H⋯S hydrogen bonds are shown as dashed lines (see Table 1 ▸). H atoms not involved in hydrogen bonding have been omitted for clarity.

Mentions: In the crystal, mol­ecules are linked via pairs of N4—H4B⋯S1 hydrogen bonds, forming inversion dimers with an (8)ring motif (Table 1 ▸ and Fig. 2 ▸). The dimers are linked by C—H⋯π inter­actions (Table 1 ▸), forming chains along [10]. The chains are linked by slipped parallel π–·π inter­actions involving inversion-related triazole rings [Cg2⋯Cg2i = 3.4339 (13) Å; Cg2 is the centroid of the triazole ring (N3–N5/C12/C13); inter­planar distance = 3.3696 (8) Å, slippage = 0.662 Å; symmetry code: (i) −x, −y + 1, −z + 2], forming layers parallel to the ab plane.


Crystal structure of 4-({(1E,2E)-3-[3-(4-fluoro-phen-yl)-1-isopropyl-1H-indol-2-yl]allyl-idene}amino)-5-methyl-1H-1,2,4-triazole-5(4H)-thione.

Kulkarni AD, Rahman ML, Mohd Yusoff M, Kwong HC, Quah CK - Acta Crystallogr E Crystallogr Commun (2015)

The crystal packing of the title compound viewed along the a axis. The N—H⋯S hydrogen bonds are shown as dashed lines (see Table 1 ▸). H atoms not involved in hydrogen bonding have been omitted for clarity.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4645009&req=5

fig2: The crystal packing of the title compound viewed along the a axis. The N—H⋯S hydrogen bonds are shown as dashed lines (see Table 1 ▸). H atoms not involved in hydrogen bonding have been omitted for clarity.
Mentions: In the crystal, mol­ecules are linked via pairs of N4—H4B⋯S1 hydrogen bonds, forming inversion dimers with an (8)ring motif (Table 1 ▸ and Fig. 2 ▸). The dimers are linked by C—H⋯π inter­actions (Table 1 ▸), forming chains along [10]. The chains are linked by slipped parallel π–·π inter­actions involving inversion-related triazole rings [Cg2⋯Cg2i = 3.4339 (13) Å; Cg2 is the centroid of the triazole ring (N3–N5/C12/C13); inter­planar distance = 3.3696 (8) Å, slippage = 0.662 Å; symmetry code: (i) −x, −y + 1, −z + 2], forming layers parallel to the ab plane.

Bottom Line: The title compound, C23H22FN5S, exists in a trans conformation with respect to the methene C=C and the acyclic N=C bonds.The 1,2,4-triazole-5(4H)-thione ring makes dihedral angles of 88.66 (9) and 84.51 (10)°, respectively, with the indole and benzene rings.The chains are linked via π-π inter-actions involving inversion-related triazole rings [centroid-centroid distance = 3.4340 (13) Å], forming layers parallel to the ab plane.

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Chemistry, KLS's Gogte Institute of Technology, Jnana Ganga, Udyambag, Belagavi 590 008 Karnataka, India.

ABSTRACT
The title compound, C23H22FN5S, exists in a trans conformation with respect to the methene C=C and the acyclic N=C bonds. The 1,2,4-triazole-5(4H)-thione ring makes dihedral angles of 88.66 (9) and 84.51 (10)°, respectively, with the indole and benzene rings. In the crystal, mol-ecules are linked by pairs of N-H⋯S hydrogen bonds, forming inversion dimers with an R 2 (2)(8) ring motif. The dimers are linked via C-H⋯π inter-actions, forming chains along [1-10]. The chains are linked via π-π inter-actions involving inversion-related triazole rings [centroid-centroid distance = 3.4340 (13) Å], forming layers parallel to the ab plane.

No MeSH data available.


Related in: MedlinePlus