2002
DOI: 10.1107/s160053680201958x
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10-[2-(4-Hydroxyphenyl)ethyl]-3,3,6,6,9-pentamethyl-3,4,6,7,9,10-hexahydroacridine-1,8(2H,5H)-dione

Abstract: Key indicatorsSingle-crystal X-ray study T = 293 K Mean '(C±C) = 0.004 A Ê R factor = 0.059 wR factor = 0.180 Data-to-parameter ratio = 14.1 For details of how these key indicators were automatically derived from the article, see

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“…The two outer rings, A and C, adopt conformations intermediate between half-chair and sofa, with Cremer & Pople (1975) puckering parameters q 2 = 0.433 (3), q 3 = 0.238 (4), Q = 0.495 (4) Å, φ 2 = −101.2 (4) and θ = 61.2 (4)° for ring A and q 2 = 0.411 (3), q 3 = −0.248 (3), Q = 0.480 (4), φ 2 = 109.1 (5) and θ = 121.1 (4)° for ring C. The piperazine ring E adopts a chair conformation. As reported in related acridine derivatives (Sivaraman et al, 1994(Sivaraman et al, , 1996Gunasekaran et al, 1996;Subbiah Pandi et al,2001;Seshadri et al,2002), the acridine moiety is folded about the line passing through C9 and N10, with a dihedral angle of 28.7 (1)° between the planes C1/C4/C4A/N10/C9/C1A and C5/C8/C8A/C9/N10/C5A.…”
Section: S1 Commentsupporting
confidence: 57%
“…The two outer rings, A and C, adopt conformations intermediate between half-chair and sofa, with Cremer & Pople (1975) puckering parameters q 2 = 0.433 (3), q 3 = 0.238 (4), Q = 0.495 (4) Å, φ 2 = −101.2 (4) and θ = 61.2 (4)° for ring A and q 2 = 0.411 (3), q 3 = −0.248 (3), Q = 0.480 (4), φ 2 = 109.1 (5) and θ = 121.1 (4)° for ring C. The piperazine ring E adopts a chair conformation. As reported in related acridine derivatives (Sivaraman et al, 1994(Sivaraman et al, , 1996Gunasekaran et al, 1996;Subbiah Pandi et al,2001;Seshadri et al,2002), the acridine moiety is folded about the line passing through C9 and N10, with a dihedral angle of 28.7 (1)° between the planes C1/C4/C4A/N10/C9/C1A and C5/C8/C8A/C9/N10/C5A.…”
Section: S1 Commentsupporting
confidence: 57%