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Potassium trifluoro-[(Z)-3-methoxy-prop-1-en-yl]borate.

ABSTRACT: In the title salt, K(+)·C(4)H(7)BF(3)O(-), the K atom is surrounded by six anions making close contacts through seven F [K⋯F = 2.779 (1)-3.048 (1) Å] and two O [K⋯O = 2.953 (2) and 3.127 (2) Å] atoms in a trivacant fac-vIC-9 icosa-hedral coordination geometry.

SUBMITTER: Zukerman-Schpector J

PROVIDER: S-EPMC2959975 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Potassium trifluoro-[(Z)-3-(oxan-2-yl-oxy)prop-1-en-1-yl]borate monohydrate.

Project description:The title compound, K(+)·C(8)H(13)BF(3)O(2) (-)·H(2)O, which was obtained from the reaction of a modified form of Z-vinylic telluride via a transmetalation reaction with n-BuLi, crystallizes as K(+) and C(8)H(13)BF(3)O(2) (-) ions along with a water mol-ecule. The K(+) cation is surrounded by four anions, making close contacts with six F atoms at 2.659?(3)-2.906?(3)?Å and with two O atoms at 2.806?(3) and 2.921?(3)?Å in a distorted bicapped trigonal-prismatic geometry.

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(Z)-2-(2-Chloro-3,3,3-trifluoro-prop-1-en-yl)-6-methoxy-phenyl acetate.

Project description:The crystal structure of the title compound, C(12)H(10)ClF(3)O(3), was determined in order to establish the configuration of the C=double bond. The compound was found to be the Z isomer. The crystal structure is dominated by Cl?O halogen bonds [Cl?O = 3.111?(3)?Å], as well as C-H?O and C-H?F hydrogen-bonding inter-actions, that connect neighboring mol-ecules into a three-dimensional supra-molecular network.

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Potassium (1-methoxy-carbonyl-2-methyl-prop-2-en-2-yl-idene)azinate.

Project description:In the title compound, K(+)·C(6)H(8)NO(4) (-), the K(+) cations have a coordination number of seven and are surrounded by four bidentate azinate anions. The methyl-ene groups of the anions are always directed towards the coordinated potassium cations. The N-C-C-C torsion angle is 101.2?(2)°. The orthogonal non-conjugated nature of the salt confirms the supposed geometry and reactivity of this compound.

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(E)-3-(2-Chloro-3,3,3-trifluoro-prop-1-en-yl)-N-(3-methoxy-phen-yl)-2,2-dimethyl-cyclo-propane-carboxamide.

Project description:The title compound, C(16)H(17)ClF(3)NO(2), was synthesized from 3-[(E)-2-chloro-3,3,3-trifluoro-prop-1-en-yl]-2,2-dimethyl-cyclo-propane-carboxylic acid and 3-methoxy-benzenamine. The propenyl and carboxamide substituents lie on the same side of the cyclo-propane ring plane, with the two methyl substituents on either side of the plane. The benzene ring makes a dihedral angle of 76.4?(3)° with the plane of the cyclo-propane ring. The crystal structure involves intermolecular N-H?O hydrogen bonds.

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Potassium [1-(tert-but-oxy-carbon-yl)-1H-indol-3-yl]trifluoro-borate hemihydrate.

Project description:The asymmetric unit of the title salt, K(+)·C(13)H(14)BF(3)NO(2)·0.5H(2)O, consists of two derivatized indolyltrifluoridoborate anions, two potassium cations and one water mol-ecule. Within the indolyltrifluoro-borate anions, the least-square planes consisting of the carboxyl group and the adjacent quarternary C atom of the tert-butyl groups deviate significantly from coplanarity with the indolyl planes [20.44?(11) and 21.02?(10)°]. The potassium ions are coordinated by six atoms (one K(+) ion by two O and four F atoms, and the second K(+) ion by one O and five F atoms), however, one of the potassium ions undergoes an additional weak potassium-? inter-action (K?centroid = 3.722?Å). The packing is stabilized by sequential O-H?O hydrogen bonds along [100] between water mol-ecules and also by O-H?F hydrogen bonds.

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Project description:The title mol-ecule, C(14)H(13)NO(2), is almost flat with a dihedral angle of 8.0?(1)° between the pyrrole and benzene rings. The central C(3)O ketone unit has an s-cis conformation and is also coplanar with a torsion angle of -0.6?(3) °. An intra-molecular C-H?O hydrogen bond generates an S(5) ring motif. In addition, the meth-oxy group is coplanar with the attached benzene ring. In the crystal structure, neighboring mol-ecules are paired through N-H?O hydrogen bonds into centrosymmetric dimers with an R(2) (2)(10) motif.

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3-(4-Methoxy-phen-yl)-1-(2-nitrophen-yl)prop-2-en-1-one.

Project description:The title compound, C(16)H(13)NO(4), was prepared from 2-nitrylhypnone [systematic name: 1-(2-nitrophenyl)ethanone] and 4-methoxy-benzophenone by a Claisen-Schmidt condensation. The dihedral angle formed by the two benzene rings is 80.73 (2). The crystal packing is stabilized by inter-molecular C-H⋯O hydrogen bonds.

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(E)-1-Phenyl-3-[4-(trifluoro-meth-yl)phen-yl]prop-2-en-1-one.

Project description:In the title compound, C(16)H(11)F(3)O, the dihedral angle between the two rings is 48.8 (2)°. The crystal packing exhibits no classical inter-molecular inter-actions between the mol-ecules.

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1-(4-Amino-phen-yl)-3-[2-(trifluoro-meth-yl)phen-yl]prop-2-en-1-one.

Project description:The title compound, C(16)H(12)F(3)NO, a derivative of biologically active chalcones, comprises two benzene rings and a central -CH=CH-C(=O)- unit. The dihedral angle between the two rings is 10.9?(1)° and the mol-ecule adopts an E configuration about the central olefinic bond. The crystal structure is stabilized by inter-molecular N-H?O and N-H?N hydrogen bonds.

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(Z)-3-(9-Anthr-yl)-1-(4-methoxy-phen-yl)prop-2-en-1-one.

Project description:The title chalcone derivative, C(24)H(18)O(2), which consists of the substituted 4-methoxy-phenyl and anthracene rings bridged by the prop-2-en-1-one unit, exists in a cis configuration. The mol-ecule is twisted, the inter-planar angle between the benzene and anthracene rings being 69.50?(10)°. The meth-oxy group is coplanar with the attached benzene ring [C-O-C-C angle = 2.9?(3)°]. In the crystal structure, mol-ecules are linked into chains along the a axis by a weak C-H?O(enone) inter-action. The chains are stacked along the c axis. A C-H?? inter-action involving the benzene ring is observed.

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