Information card for entry 7225955

Structure parameters

• Formula: C14 H7 N3 O2 S
• Calculated formula: C14 H7 N3 O2 S
• SMILES: s1nc2c(N3C(=O)c4ccccc4C3=O)cccc2n1
• Title of publication: A highly sensitive fluorescent probe for detection of hydrazine in gas and solution phase based on the Gabriel mechanism and its bioimaging
• Authors of publication: Maji, Rajkishor; Mahapatra, Ajit Kumar; Maiti, Kalipada; Mondal, Sanchita; Ali, Syed Samim; Sahoo, Prithidipa; Mandal, Sukhendu; Uddin, Md. Raihan; Goswami, Shyamaprosad; Quah, Ching Kheng; Fun, Hoong- Kun
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 7.5691 ± 0.0009 Å
• b: 8.3593 ± 0.001 Å
• c: 10.1479 ± 0.0012 Å
• α: 83.336 ± 0.002°
• β: 88.008 ± 0.002°
• γ: 67.085 ± 0.001°
• Cell volume: 587.38 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.042
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0923
• Weighted residual factors for all reflections included in the refinement: 0.096
• 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: No