Information card for entry 2017746

Structure parameters

• Chemical name: 2-amino-1,3-thiazolium hydrogen maleate
• Formula: C7 H8 N2 O4 S
• Calculated formula: C7 H8 N2 O4 S
• SMILES: s1c(N)[nH+]cc1.[O-]C(=O)/C=C\C(=O)O
• Title of publication: <i>Z</i> and <i>E</i> isomers of butenedioic acid with 2-amino-1,3-thiazole: 2-amino-1,3-thiazolium hydrogen maleate and 2-amino-1,3-thiazolium hydrogen fumarate
• Authors of publication: John, Jain; Balasubramanian, T.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: o436 - o440
• a: 6.3372 ± 0.0004 Å
• b: 22.4153 ± 0.0014 Å
• c: 6.8618 ± 0.0004 Å
• α: 90°
• β: 111.112 ± 0.002°
• γ: 90°
• Cell volume: 909.3 ± 0.1 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 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: 0.0537
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for all reflections included in the refinement: 0.1169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes