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[4-(4-Meth-oxy-phen-yl)-8-oxo-3-(phenyl-selan-yl)spiro-[4.5]deca-3,6,9-trien-2-yl]methyl-cyanamide.

ABSTRACT: The title compound, C₂₅H₂₂N₂O₂Se, crystallizes in the space group P2₁/c with one mol-ecule in the asymmetric unit. The compound was synthesized by the addition of phenyl-selenyl bromide to a cyanamide. The phenyl-selenyl portion and the cyano group, as well as the ketone functional group in the cyclo-hexa-2,5-dien-1-one portion of the structure, are disordered, with occupancy factors of 0.555 (14) and 0.445 (14).

SUBMITTER: Morris LL

PROVIDER: S-EPMC9462140 | biostudies-literature | 2020 Jan

REPOSITORIES: biostudies-literature

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[4-(4-Meth-oxy-phen-yl)-8-oxo-3-(phenyl-selan-yl)spiro-[4.5]deca-3,6,9-trien-2-yl]methyl-cyanamide.

Morris LaQuze L LL Alvarado Clarisa A CA Goncalves Julia M JM Singh Ravi P RP Lovely Carl J CJ Yousufuddin Muhammed M

IUCrData 20200128 Pt 1

The title compound, C25H22N2O2Se, crystallizes in the space group P21/c with one mol-ecule in the asymmetric unit. The compound was synthesized by the addition of phenyl-selenyl bromide to a cyanamide. The phenyl-selenyl portion and the cyano group, as well as the ketone functional group in the cyclo-hexa-2,5-dien-1-one portion of the structure, are disordered, with occupancy factors of 0.555 (14) and 0.445 (14). ...[more]

PMID: 36337724

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Crystal structure of 3-meth-oxy-carbonyl-2-(4-meth-oxy-phen-yl)-8-oxo-1-aza-spiro[4.5]deca-1,6,9-trien-1-ium-1-olate.

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Methyl 2,2-dimeth-oxy-8-oxo-1-oxaspiro-[4.5]deca-6,9-diene-3-carboxyl-ate.

Project description:In the title mol-ecule, C(13)H(16)O(6), the cyclo-hexa-1,4-diene ring adopts a flat boat conformation (r.m.s. deviation from planarity = 0.060 Å) and the five-membered tetra-hydro-furan ring adopts an envelope conformation with the carboxyl group-substituted C atom as the flap. The dihedral angle at the spiro junction is 89.1 (1)°. In the crystal, mol-ecules are linked through weak C-H⋯O and van der Waals inter-actions.

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Crystal structure of methyl 2-(2H-1,3-benzodioxol-5-yl)-7,9-di-bromo-8-oxo-1-oxa-spiro-[4.5]deca-2,6,9-triene-3-car-boxyl-ate.

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(2S)-2-(3-Oxo-1,4-dioxaspiro-[4.5]decan-2-yl)ethanoic acid.

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4'-(2,5,8,11,14-Penta-oxabicyclo-[13.4.0]nona-deca-15,17,19-trien-17-yl-oxy)-2,2':6',2''-terpyridine: a powder study.

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3-tert-Butyl-2-oxo-1-oxaspiro-[4.5]dec-3-en-4-yl 4-chloro-benzoate.

Project description:The title tetronic acid derivative, C(20)H(23)ClO(4), which is a spiro-diclofen analogue, has two crystallographically independent mol-ecules in the asymmetric unit (Z' = 2). The cyclo-hexane rings in the respective mol-ecules A and B adopt chair conformations [four C atoms are planar with mean deviations of 0.013 (2) and 0.001 (2) Å, and the flap positions deviate by 0.653 (4) and -0.663 (3) Å (mol-ecule A) and 0.642 (4) and -0.643 (5) Å (mol-ecule B) from the plane]. The furan ring makes dihedral angles of 86.9 (1) (mol-ecule A) and 85.4 (1)° (mol-ecule B) with the respective benzene rings.

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3-(2,4-Dichloro-phen-yl)-2-oxo-1-oxaspiro-[4.5]dec-3-en-4-yl 2-methyl-prop-2-enoate.

Project description:In the title mol-ecule, C(19)H(18)Cl(2)O(4), the cyclo-hexane ring adopts a chair conformation. The furan ring is essentially planar and forms a dihedral angle of 82.1 (1)° with the benzene ring. In the crystal, weak C-H⋯O interactions are present.

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10,13-Dimethyl-16-oxo-4,5,6,7,8,9,10,11,12,13,14,15,16,17-tetra-deca-hydro-1H-cyclo-penta-[a]phenanthren-17-yl acetate.

Project description:In the title compound, C(21)H(30)O(3), the five-membered ring adopts an envelope conformation, the cyclo-hexene ring displays a half-chair conformation and the two cyclo-hexane rings have normal chair conformations. In the crystal structure, weak inter-molecular C-H⋯O hydrogen bonding links the mol-ecules into supra-molecular chains running along [100].

| S-EPMC3007217 | biostudies-literature

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