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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-κN]eth-yl}pyridine-κN)(η(5)-penta-methyl-cyclo-penta-dien-yl)rhodium(III) chloride.

Project description:The cation of the title compound, [Rh(η(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

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.

| S-EPMC2968076 | biostudies-literature

(η-Cyclo-penta-dien-yl)[η-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

{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

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

Project description:The title compound, [Ir(η(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⋯π inter-actions, forming a dimeric structure. The crystal packing is further stabilized by weak inter-ionic C-H⋯π inter-actions.

| S-EPMC4350695 | biostudies-literature

Dicarbon-yl(η-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

?-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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