Information card for entry 2243117

Structure parameters

• Chemical name: 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]
• Formula: C37 H26 N4 O3 S
• Calculated formula: C37 H26 N4 O3 S
• SMILES: [C@@]12(c3ccccc3c3c1nc1c(cccc1)n3)[C@H]1c3ccccc3O[C@@H]([C@]1([C@@H]1CSCN21)N(=O)=O)c1cccc2ccccc12.[C@]12(c3ccccc3c3c1nc1c(cccc1)n3)[C@@H]1c3ccccc3O[C@H]([C@@]1([C@H]1CSCN21)N(=O)=O)c1cccc2ccccc12
• 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: 8.369 ± 0.0003 Å
• b: 13.244 ± 0.0004 Å
• c: 29.221 ± 0.0005 Å
• α: 90°
• β: 93.28 ± 0.002°
• γ: 90°
• Cell volume: 3233.52 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1126
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1477
• Weighted residual factors for all reflections included in the refinement: 0.1636
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes