Information card for entry 4500158

Structure parameters

• Common name: beta resoryclic acid form I
• Chemical name: 2,4-hidyroxybenzoic acid form I
• Formula: C7 H6 O4
• Calculated formula: C7 H6 O4
• SMILES: OC(=O)c1c(O)cc(O)cc1
• Title of publication: Solid-State Forms of β-Resorcylic Acid: How Exhaustive Should a Polymorph Screen Be?
• Authors of publication: Braun, Doris E.; Karamertzanis, Panagiotis G.; Arlin, Jean-Baptiste; Florence, Alastair J.; Kahlenberg, Volker; Tocher, Derek A.; Griesser, Ulrich J.; Price, Sarah L.
• Journal of publication: Crystal growth & design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 1
• Pages of publication: 210 - 220
• a: 23.1978 ± 0.0004 Å
• b: 5.5469 ± 0.0001 Å
• c: 5.198 ± 0.0001 Å
• α: 90°
• β: 92.215 ± 0.001°
• γ: 90°
• Cell volume: 668.36 ± 0.02 ų
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Goodness-of-fit parameter for all reflections: 2.877
• Method of determination: powder diffraction
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No