Information card for entry 8100931

Structure parameters

• Formula: C11 H8 N2 O2
• Calculated formula: C11 H8 N2 O2
• SMILES: O(c1cc(ccc1O)C=C(C#N)C#N)C
• Title of publication: Crystal structure of 3-methoxy-4-hydroxybenzylidene-malononitrile, C~11~H~8~N~2~O~2~
• Authors of publication: Kolev, Tsonko; Yancheva, Denitsa; Glavcheva, Zornitsa; Schürmann, Markus; Kleb, Dirk-Chr.; Preut, Hans; Bleckmann, Paul
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2001
• Journal volume: 216
• Journal issue: 2
• Pages of publication: 239 - 240
• a: 4.8356 ± 0.001 Å
• b: 13.0308 ± 0.0013 Å
• c: 32.408 ± 0.006 Å
• α: 90°
• β: 92.82 ± 0.02°
• γ: 90°
• Cell volume: 2039.6 ± 0.6 ų
• Cell temperature: 291 ± 1 K
• Ambient diffraction temperature: 291 ± 1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No