Information card for entry 2243118

Structure parameters

• Chemical name: 6'-(nNphthalen-1-yl)-6a'-nitro-6',6a',6b',7',8',9',10',12a'-octahydro-2<i>H</i>-spiro[acenaphthylene-1,12'-chromeno[3,4-<i>a</i>]indolizin]-2-one
• Formula: C36 H28 N2 O4
• Calculated formula: C36 H28 N2 O4
• SMILES: C1(=O)c2cccc3cccc(c23)[C@@]21[C@H]1[C@@]([C@H]3CCCCN23)([C@H](c2c3ccccc3ccc2)Oc2c1cccc2)N(=O)=O.C1(=O)c2cccc3cccc(c23)[C@]21[C@@H]1[C@]([C@@H]3CCCCN23)([C@@H](c2c3ccccc3ccc2)Oc2c1cccc2)N(=O)=O
• Title of publication: The crystal structures and Hirshfeld surface analysis of 6-(naphthalen-1-yl)-6a-nitro-6,6a,6b,7,9,11a-hexahydrospiro[chromeno[3',4':3,4]pyrrolo[1,2-<i>c</i>]thiazole-11,11'-indeno[1,2-<i>b</i>]quinoxaline] and 6'-(naphthalen-1-yl)-6a'-nitro-6',6a',6b',7',8',9',10',12a'-octahydro-2<i>H</i>-spiro[acenaphthylene-1,12'-chromeno[3,4-<i>a</i>]indolizin]-2-one
• Authors of publication: Foize Ahmad, G.; Syed Mohammed Mujaheer, A.; NizamMohideen, M.; Gulam Mohamed, M.; Viswanathan, V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 10
• Pages of publication: 1519 - 1524
• a: 35.736 ± 0.0005 Å
• b: 11.451 ± 0.0004 Å
• c: 15.313 ± 0.0003 Å
• α: 90°
• β: 98.378 ± 0.002°
• γ: 90°
• Cell volume: 6199.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0595
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1194
• Weighted residual factors for all reflections included in the refinement: 0.1258
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes