Information card for entry 2100803

Structure parameters

• Formula: C17 H19 Cl O
• Calculated formula: C17 H19 Cl O
• SMILES: Clc1c(cccc1)/C=C/C1=CC(=O)C(CC1)C(C)C
• Title of publication: Solid-state photobehaviour and crystal packing of <i>o</i>-chlorobenzylidene-<small>DL</small>-piperitone: influence of molecular topology on photobehaviour
• Authors of publication: Venugopalan, P.; Venkatesan, K.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 4
• Pages of publication: 532 - 537
• a: 11.154 ± 0.003 Å
• b: 12.685 ± 0.002 Å
• c: 12.713 ± 0.002 Å
• α: 100.68 ± 0.01°
• β: 113.58 ± 0.01°
• γ: 104.5 ± 0.02°
• Cell volume: 1511.2 ± 0.6 ų
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: Cu
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No