Information card for entry 2243440

Structure parameters

• Chemical name: 4-{[(<i>E</i>)-4-(Heptyloxy)benzylidene]amino}-<i>N</i>-(naphthalen-2-yl)-1,3-thiazol-2-amine
• Formula: C27 H28 N2 O S
• Calculated formula: C27 H28 N2 O S
• SMILES: s1c(nc(c2cc3c(cc2)cccc3)c1)/N=C/c1ccc(OCCCCCCC)cc1
• Title of publication: Crystal structure and Hirshfeld surface analysis of 4-{[(<i>E</i>)-4-(heptyloxy)benzylidene]amino}-<i>N</i>-(naphthalen-2-yl)-1,3-thiazol-2-amine
• Authors of publication: Sheakh Mohamad, Ropak A.; Aziz, Hashim J.; Hamad, Wali M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 7
• Pages of publication: 1092 - 1095
• a: 22.927 ± 0.004 Å
• b: 5.9315 ± 0.0006 Å
• c: 17.191 ± 0.002 Å
• α: 90°
• β: 97.734 ± 0.012°
• γ: 90°
• Cell volume: 2316.6 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1222
• Residual factor for significantly intense reflections: 0.0665
• Weighted residual factors for significantly intense reflections: 0.1321
• Weighted residual factors for all reflections included in the refinement: 0.155
• Goodness-of-fit parameter for all reflections included in the refinement: 0.924
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes