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Ethyl 2-(4-chloro-phenyl)-3-(3,5-di-fluoro-phenoxy)acrylate.

ABSTRACT: In the title compound, C(17)H(13)ClF(2)O(3), a multifunctional aromatic compound, the dihedral angle between the two benzene rings is 51.8 (3)°.

SUBMITTER: Gong HB

PROVIDER: S-EPMC2960089 | biostudies-literature | 2008 Nov

REPOSITORIES: biostudies-literature

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Ethyl 2-(4-chloro-phenyl)-3-(3,5-di-fluoro-phenoxy)acrylate.

Gong Hai-Bin HB Wang Jie J Liu Ying Y Wang Lei L

Acta crystallographica. Section E, Structure reports online 20081120 Pt 12

In the title compound, C(17)H(13)ClF(2)O(3), a multifunctional aromatic compound, the dihedral angle between the two benzene rings is 51.8 (3)°. ...[more]

PMID: 21581344

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Ethyl 2-(4-chloro-phenyl)-3-(2,4-di-fluoro-phenoxy)acrylate.

Project description:In the mol-ecule of the title compound, C(17)H(13)ClF(2)O(3), the dihedral angles formed by the aromatic rings of the chloro-benzene and difluoro-benzene groups with the plane of the acrylate unit are 48.85 (12) and 9.07 (14)°, respectively. In the crystal structure, mol-ecules are linked by weak inter-molecular C-H⋯O hydrogen-bond inter-actions, forming chains along the c axis.

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Ethyl 2-(4-chloro-phen-yl)-3-(3,5-dimethoxy-phen-oxy)acrylate.

Project description:The title compound, C(19)H(19)ClO(5), displays a dihedral angle of 74.7 (3)° between the mean planes of the 4-chloro-phenyl and phenol rings.

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Synthesis, mol-ecular and crystal structures of 4-amino-3,5-di-fluoro-benzo-nitrile, ethyl 4-amino-3,5-di-fluoro-benzoate, and diethyl 4,4'-(diazene-1,2-di-yl)bis-(3,5-di-fluoro-benzoate).

Project description:The crystal structures of two inter-mediates, 4-amino-3,5-di-fluoro-benzo-nitrile, C7H4F2N2 (I), and ethyl 4-amino-3,5-di-fluoro-benzoate, C9H9F2NO2 (II), along with a visible-light-responsive azo-benzene derivative, diethyl 4,4'-(diazene-1,2-di-yl)bis-(3,5-di-fluoro-benzoate), C18H14F4N2O4 (III), obtained by four-step synthetic procedure, were studied using single-crystal X-ray diffraction. The mol-ecules of I and II demonstrate the quinoid character of phenyl rings accompanied by the distortion of bond angles related to the presence of fluorine substituents in the 3 and 5 (ortho) positions. In the crystals of I and II, the mol-ecules are connected by N-H⋯N, N-H⋯F and N-H⋯O hydrogen bonds, C-H⋯F short contacts, and π-stacking inter-actions. In crystal of III, only stacking inter-actions between the mol-ecules are found.

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(Z)-Ethyl 3-(4-chloro-benzamido)-2-cyano-3-(4-fluoro-phen-yl)acrylate.

Project description:The title compound, C(19)H(14)ClFN(2)O(3), was prepared by the reaction of ethyl (Z)-3-amino-2-cyano-3-(4-fluoro-phen-yl)acrylate and 4-chloro-benzoyl chloride. The dihedral angle between the chloro-benzene and fluoro-benzene rings is 66.18 (19)°. In addition to an intra-molecular N-H⋯O hydrogen bond, there are inter-molecular C-H⋯O and C-H⋯N hydrogen bonding inter-actions, which stabilize the crystal structure.

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Crystal structures of 4-chloro-phenyl N-(3,5-di-nitro-phen-yl)carbamate and phenyl N-(3,5-di-nitro-phen-yl)carbamate.

Project description:The title compounds, C13H8ClN3O6, (I), and C13H9N3O6, (II), differ in the orientation of the two aromatic rings. In (I), they are essentially coplanar, making a dihedral angle of 8.2 (1)°, while in (II), they are inclined to one another by 76.2 (1)°. The two nitro groups are essentially coplanar with the attached benzene rings, as indicated by the dihedral angles of 1.4 (2) and 2.3 (2)° in (I), and 4.96 (18) and 5.4 (2)° in (II). The carbamate group is twisted slightly from the attached benzene ring, with a C-N-C-O torsion angle of -170.17 (15)° for (I) and 168.91 (13)° for (II). In the crystals of of both compounds, mol-ecules are linked via N-H⋯O hydrogen bonds, forming chains propagating along [010]. In (I), C-H⋯O hydrogen bonds also link mol-ecules within the chains. The crystal packing in (I) also features a very weak π-π inter-action [centroid-centroid distance = 3.7519 (9) Å].

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1-(2,2-Di-chloro-acet-yl)-3-ethyl-2,6-di-phenyl-piperidin-4-one.

Project description:The asymmetric unit of the title compound, C21H21Cl2NO2, contains two independent mol-ecules that show similar geometrical features. The piperidine ring adopts a distorted boat conformation. The phenyl rings substituted at the 2- and 6-positions of the piperidine ring are oriented at angles of 65.4 (1) [64.7 (2)°] and 89.2 (1)° [86.3 (2)°] with respect to the least-squares plane of the piperidine ring. In the crystal, adjacent mol-ecules are linked by a network of C-H⋯O inter-actions, forming a C(6) chain along the c-axis direction.

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Crystal structure of ethyl 2-(3,5-di-fluoro-phen-yl)quinoline-4-carboxyl-ate.

Project description:In the title compound, C18H13F2NO2, the two rings of the quinoline system are fused almost coaxially, with a dihedral angle between their planes of 2.28 (8)°. The plane of the attached benzene ring is inclined to the plane of the quinoline system by 7.65 (7)°. The carboxyl-ate group attached to the quinoline system is in an anti-periplanar conformation. There is a short intra-molecular C-H⋯O contact involving the carbonyl group. In the crystal, mol-ecules are linked via C-H⋯O hydrogen bonds, forming chains lying in the (1-10) plane.

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Ethyl 4-chloro-3,5-dinitro-benzoate.

Project description:In the title compound, C(9)H(7)ClN(2)O(6), the nitro groups and the ester group make dihedral angles of 44.0 (1), 89.6 (1) and 164.1 (1)°, respectively, with the benzene ring. In the crystal, mol-ecules are linked through weak C-H⋯O hydrogen-bonding inter-actions. Mol-ecules are stacked via π-π inter-actions about inversion centers, with a centroid-centroid distance of 3.671 (2) Å.

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Crystal structures of isomeric 3,5-di-chloro-N-(2,3-di-methyl-phen-yl)benzene-sulfonamide, 3,5-di-chloro-N-(2,6-di-methyl-phen-yl)benzene-sulfonamide and 3,5-di-chloro-N-(3,5-di-methyl-phen-yl)benzene-sulfonamide.

Project description:The crystal structures of three isomeric compounds of formula C14H13Cl2NO2S, namely 3,5-di-chloro-N-(2,3-di-methyl-phen-yl)-benzene-sulfonamide (I), 3,5-di-chloro-N-(2,6-di-methyl-phen-yl)benzene-sulfonamide (II) and 3,5-di-chloro-N-(3,5-di-methyl-phen-yl)benzene-sulfonamide (III) are described. The mol-ecules of all the three compounds are U-shaped with the two aromatic rings inclined at 41.3 (6)° in (I), 42.1 (2)° in (II) and 54.4 (3)° in (III). The mol-ecular conformation of (II) is stabilized by intra-molecular C-H⋯O hydrogen bonds and C-H⋯π inter-actions. The crystal structure of (I) features N-H⋯O hydrogen-bonded R22(8) loops inter-connected via C(7) chains of C-H⋯O inter-actions, forming a three-dimensional architecture. The structure also features π-π inter-actions [Cg⋯Cg = 3.6970 (14) Å]. In (II), N-H⋯O hydrogen-bonded R22(8) loops are inter-connected via π-π inter-actions [inter-centroid distance = 3.606 (3) Å] to form a one-dimensional architecture running parallel to the a axis. In (III), adjacent C(4) chains of N-H⋯O hydrogen-bonded mol-ecules running parallel to [010] are connected via C-H⋯π inter-actions, forming sheets parallel to the ab plane. Neighbouring sheets are linked via offset π-π inter-actions [inter-centroid distance = 3.8303 (16) Å] to form a three-dimensional architecture.

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(2E,4E)-Ethyl 5-(2,4-di-chloro-phenyl-sulfon-yl)penta-2,4-dienoate.

Project description:In the title compound, C13H12Cl2O4S, both C=C double bonds adopt an E conformation. The S atom has a distorted tetra-hedral geometry with bond angles ranging from 103.03 (12) to 118.12 (13)°. The eth-oxy-carbonyl group is disordered over two sets of sites, with site-occupancy factors of 0.739 (11) and 0.261 (11). In the crystal, C-H⋯O inter-actions link the mol-ecules into chains mol-ecules running parallel to the a axis.

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