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(3-Chloro-phen-yl){2-eth-oxy-5-[(Z)-hydroxy(phen-yl)methyl-idene]cyclo-penta-1,3-dien-1-yl}methanone.

ABSTRACT: The title compound, C(21)H(17)ClO(3), which crystallizes as one of two possible oxo/hy-droxy-fulvene prototropic tautomers, possesses a strong intra-molecular O-H?O hydrogen bond that closes a seven-membered ring. The dihedral angles between the central five-membered ring and two pendant rings are 55.05?(9) and 44.51?(10)°. The crystal packing is characterized by weak inter-molecular C-H?O inter-actions between an H atom of the oxymethyl-ene unit and the carbonyl group of an adjacent mol-ecule, resulting in formation of chains of mol-ecules along the a axis.

SUBMITTER: Tintas ML

PROVIDER: S-EPMC3275002 | biostudies-literature | 2012 Feb

REPOSITORIES: biostudies-literature

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(3-Chloro-phen-yl){2-eth-oxy-5-[(Z)-hydroxy(phen-yl)methyl-idene]cyclo-penta-1,3-dien-1-yl}methanone.

Tinţaş Mihaela-Liliana ML Varga Richard A RA Grosu Ion I Bogdan Elena E

Acta crystallographica. Section E, Structure reports online 20120111 Pt 2

The title compound, C(21)H(17)ClO(3), which crystallizes as one of two possible oxo/hy-droxy-fulvene prototropic tautomers, possesses a strong intra-molecular O-H⋯O hydrogen bond that closes a seven-membered ring. The dihedral angles between the central five-membered ring and two pendant rings are 55.05 (9) and 44.51 (10)°. The crystal packing is characterized by weak inter-molecular C-H⋯O inter-actions between an H atom of the oxymethyl-ene unit and the carbonyl group of an adjacent mol-ecule, ...[more]

PMID: 22346947

Similar Datasets

Crystal structure of chlorido-(2-{1-[2-(4-chloro-phen-yl)hydrazin-1-yl-idene-?N]eth-yl}pyridine-?N)(?(5)-penta-methyl-cyclo-penta-dien-yl)rhodium(III) chloride.

Project description:The cation of the title compound, [Rh(?(5)-C5Me5)Cl(C13H12ClN3)]Cl, adopts a typical piano-stool geometry. The complex is chiral at the metal and crystallizes as a racemate. Upon coordination, the hydrazinyl-idene-pyridine ligand is non-planar, an angle of 54.42?(7)° being observed between the pyridine ring and the aromatic ring of the [2-(4-chloro-phen-yl)hydrazin-1-yl-idene]ethyl group. In the crystal, a weak inter-ionic N-H?Cl hydrogen bond is observed.

| S-EPMC4350752 | biostudies-literature

(?-Cyclo-penta-dien-yl)[?-diethyl eth-yl(phen-yl)malonate]iron(II) hexa-fluorido-phosphate.

Project description:At 223?(2)?K, the complexed rings in the iron(II) complex cation of the title salt, [Fe(C(5)H(5))(C(15)H(20)O(4))]PF(6), are almost parallel [dihedral angle between planes = 4.10?(14)°]. Among the C atoms of the complexed arene ring, the quaternary C atom is located at the longest distance from the Fe atom. The F atoms of the PF(6) (-) anion were found to be equally disordered over two sites.

| S-EPMC2959750 | biostudies-literature

Phen-yl(2,4,5-triphenyl-cyclo-penta-1,4-dien-1-yl)methanone.

Project description:The title compound, C(30)H(22)O, does not form face-to-face ?-? inter-actions despite the presence of four phenyl rings within the compound. Instead weak C-H?? inter-actions occur between adjacent mol-ecules, with C?C contact distances in the range 3.633?(4)-3.974?(4)?Å. The ketone O atom also takes part in a weak C-H?O inter-action. The three pendant phenyl rings are twisted relative to the central cyclopentadiene ring by 17.82?(17), 29.63?(14) and 61.57?(9)°, while the phenylmethanone is nearly orthogonal, the angle between planes being 87.77?(9)°.

| S-EPMC3152139 | biostudies-other

(2R,3R)-2-[(4-Chloro-phen-yl)hydroxy-meth-yl]cyclo-penta-none.

Project description:The title compound, C(12)H(13)ClO(2), was prepared by the direct asymmetric inter-molecular aldol reaction of cyclo-penta-none and 4-chloro-benzaldehyde catalysed by l-tryptophan in water. The absolute mol-ecular structure was determined to be a racemic twin with 91% (2R,3R) isomer and 9% of the (2S,3S) form. In the crystal structure, the mol-ecules are connected into a one-dimensional chain along the a axis through the formation of inter-molecular O-H?O hydrogen bonds. Further, non-conventional C-H?O and C-H?? contacts are observed in the structure, which consolidate the crystal packing.

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{5-Chloro-2-[(4-chloro-benzyl-idene)-amino]-phen-yl}(phen-yl)methanone.

Project description:In the title compound, C(20)H(13)Cl(2)NO, the C=N bond adopts an E conformation. The chloro-substituted rings form a dihedral angle of 11.99?(9)° with each other and form dihedral angles of 74.95?(9) and 83.26?(10)° with the unsubstituted ring. In the crystal, mol-ecules are connected into dimers by pairs of weak C-H?O hydrogen bonds and the dimers are arranged in columns parallel to the a axis.

| S-EPMC3295436 | biostudies-literature

Dicarbon-yl(?-cyclo-penta-dien-yl)[2-(phenyl-sulfan-yl)eth-yl]iron(II).

Project description:The title compound, [Fe(C(5)H(5))(C(8)H(9)S)(CO)(2)], is a three-legged piano-stool iron(II) complex that is characterized by a thio-ethyl-linked phenyl ring and a cyclo-penta-dienyl moiety that occupies the apical coordination site. The two aromatic rings are essentially planar with the same maximum deviation of 0.009?Å. The mean planes of the phenyl and cyclo-penta-dienyl rings bis-ect at an acute angle of 50.08°.

| S-EPMC3089356 | biostudies-literature

Crystal structure of chlorido-(2-{[2-(4-chloro-phen-yl)hydrazin-1-yl-idene-?N (1)](phen-yl)meth-yl}pyridine-?N)(?(5)-penta-methyl-cyclo-penta-dien-yl)iridium(III) tetra-phenyl-borate.

Project description:The title compound, [Ir(?(5)-C5Me5)Cl(C18H14ClN3)]B(C6H5)4, is chiral at the metal center and crystallizes as a racemate. In the cation, the hydrazinyl-idene-pyridine ligand is N,N-coordinated through the N-pyridyl and N-hydrazinyl-idene groups forming a five-membered metallacycle. An intra-molecular C-H?Cl hydrogen bond is observed. In the crystal, centrosymmetrically-related cations are connected by C-Cl?? inter-actions, forming a dimeric structure. The crystal packing is further stabilized by weak inter-ionic C-H?? inter-actions.

| S-EPMC4350695 | biostudies-literature

?-Oxido-bis-{bis-[(penta-fluoro-phen-yl)methano-lato](?-penta-methyl-cyclo-penta-dien-yl)titanium(IV)}.

Project description:The dinuclear title complex, [Ti(2)(C(10)H(15))(2)(C(7)H(2)F(5)O)(4)O], features two Ti(IV) atoms bridged by an O atom. Each Ti atom is bonded to a ?(5)-penta-methyl-cyclo-penta-dienyl ring, two (penta-fluoro-phen-yl)methano-late anions and to the bridging O atom. The environment around each Ti atom can be considered as a distorted tetra-hedron.

| S-EPMC3212174 | biostudies-literature

{2-[(3-Bromo-benzyl-idene)amino]-5-chloro-phen-yl}(phen-yl)methanone.

Project description:In the title compound, C(20)H(13)BrClNO, the azomethine double bond [C=N = 1.246?(4)?Å] adopts an E conformation. The bromo- and chlorophenyl rings are inclined to one another by 13.70?(11)°, and form dihedral angles of 76.68?(10) and 74.24?(7)°, respectively, with the phenyl ring. In the crystal, mol-ecules are linked by C-H?O hydrogen bonds to form double stranded chains propagating along the b-axis direction.

| S-EPMC3295437 | biostudies-literature

[?-1,3-Bis(trimethyl-sil-yl)cyclo-penta-dien-yl]dichlorido[?-(trimethyl-sil-yl)cyclo-penta-dien-yl]titanium(IV).

Project description:In the title compound, [Ti(C(8)H(13)Si)(C(11)H(21)Si(2))Cl(2)], the Ti(IV) atom is bonded to two Cl atoms, one 1,3-bis-(trimethyl-sil-yl)cyclo-penta-dienyl (Si(2)Cp) and one (trimethyl-sil-yl)cyclo-penta-dienyl ring (SiCp). The Si(2)Cp centroid-titanium distance is 2.0763?(10)?Å and the SiCp centroid-titanium distance is 2.0793?(10)?Å. The angle subtended at the Ti atom by the centroids of both cyclo-penta-dienyl rings is 131.22?(4)° and the Cl-Ti-Cl angle is 94.14?(2)°.

| S-EPMC3238619 | biostudies-literature

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