Information card for entry 4020747

Structure parameters

• Formula: C21 H21 N5 O3 S
• Calculated formula: C21 H21 N5 O3 S
• SMILES: c1(c(c(cc(c1)CNc1c2c(ncn1)sc(Nc1ccccc1)n2)OC)OC)OC
• Title of publication: Single-Step Syntheses of 2-Amino-7-chlorothiazolo[5,4-d]pyrimidines: Intermediates for Bivalent Thiazolopyrimidines
• Authors of publication: Jian Liu; Raymond J. Patch; Carsten Schubert; Mark R. Player
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 10194 - 10197
• a: 17 ± 0.003 Å
• b: 8.31 ± 0.0017 Å
• c: 15.24 ± 0.003 Å
• α: 90°
• β: 102.9 ± 0.03°
• γ: 90°
• Cell volume: 2098.6 ± 0.7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No