Information card for entry 8100721

Structure parameters

• Formula: C25 H32 Cl N3 O4
• Calculated formula: C25 H32 Cl N4 O3
• SMILES: [Cl-].N1(CC[NH+](CC1)C1CCC(CC1)N1C(=O)c2ccccc2C1=O)c1c(cccc1)OC.O
• Title of publication: Crystal structure of trans-1-(2-methoxyphenyl)-4-[4-(2-phthalimido) cyclohexyl]-piperazine chloride monohydrate, (C~25~H~30~N~3~O~3~)Cl · H~2~O
• Authors of publication: Karolak-Wojciechowska, Janina; Fruziński, Andrzej; Paluchowska, Maria; Mokrosz, Maria
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2002
• Journal volume: 217
• Journal issue: 3
• Pages of publication: 437 - 438
• a: 14.64 ± 0.003 Å
• b: 22.585 ± 0.005 Å
• c: 7.462 ± 0.001 Å
• α: 90°
• β: 101.51 ± 0.03°
• γ: 90°
• Cell volume: 2417.7 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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