Information card for entry 7051551

Structure parameters

• Common name: N'-Acetyl-2-(octyloxy)benzohydrazide
• Formula: C17 H26 N2 O3
• Calculated formula: C17 H26 N2 O3
• SMILES: O(c1c(C(=O)NNC(=O)C)cccc1)CCCCCCCC
• Title of publication: A programmed hydrogen bonding array self-assembles into a polymeric zipper-like architecture
• Authors of publication: Yang, Yong; Zhang, Ya-Zhou; Tang, Ya-Lin; Chen, Chuan-Feng
• Journal of publication: New Journal of Chemistry
• Year of publication: 2006
• Journal volume: 30
• Journal issue: 2
• Pages of publication: 140
• a: 8.329 ± 0.002 Å
• b: 23.399 ± 0.006 Å
• c: 9.458 ± 0.003 Å
• α: 90°
• β: 108.075 ± 0.009°
• γ: 90°
• Cell volume: 1752.3 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0766
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1166
• Weighted residual factors for all reflections included in the refinement: 0.1356
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No