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2-(4-Ferrocenylphen-yl)-4,4,5,5-tetra-methyl-1,3,2-dioxaborolane.

ABSTRACT: In the title compound,, [Fe(C(5)H(5))(C(17)H(20)BO(2))], the two near parallel cyclo-penta-dienyl rings of the ferrocene group are eclipsed. The benzene ring is tilted with respect to the attached cyclo-penta-diene ring by 17.0 (1)° and by 24.2 (1)° with respect to the dioxaborolane ring. The mol-ecules assemble in the crystal via C-H⋯π inter-actions between the cyclo-penta-dienyl H atoms and the benzene and cyclo-penta-dienyl rings of neighbouring mol-ecules.

SUBMITTER: Boyd PD

PROVIDER: S-EPMC2959994 | biostudies-literature |

REPOSITORIES: biostudies-literature

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4,4,5,5-Tetra-methyl-2-[1,3,6,8-tetra-bromo-7-(4,4,5,5-tetra-methyl-1,3,2-dioxaborolan-2-yl)pyren-2-yl]-1,3,2-dioxaborolane.

Project description:The complete mol-ecule of the title compound, C(28)H(28)B(2)Br(4)O(4), is generated by the application of a centre of inversion. In the mol-ecule, the BO(2) plane is perpendicular to that through the pyrene ring [dihedral angle = 86.27?(13)°]. In the crystal, mol-ecules stack into columns along the b axis, the closest contact between these being of the type C-Br??.

| S-EPMC3297842 | biostudies-other

9-Phenyl-3,6-bis-(4,4,5,5-tetra-methyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole.

Project description:In the title compound, C(30)H(35)B(2)NO(4), the carbazole skeleton is essentially planar (r.m.s. deviation for all non-H atoms = 0.035?Å), and is oriented at a dihedral angle of 65.0?(3)° with respect to the adjacent phenyl ring.

| S-EPMC3212309 | biostudies-literature

9-[(E)-2-(4,4,5,5-Tetra-methyl-1,3,2-dioxa-borolan-2-yl)ethen-yl]-9H-carbazole.

Project description:The title compound, C(20)H(22)BNO(2), is a simple olefinic compound which carries both B and N atoms that are trans to one another. The ?-conjugated system of the compound is considered to be isoelectronic with 1,3-butadiene. There are two independent mol-ecules in the asymmetric unit in which the environments around the boron atoms are essentially planar (r.m.s. deviations of 0.0032 and 0.0021?Å for the BO(2)C planes). The dihedral angles of the olefinic planes with the boron planes are 5.70?(11) and 9.74?(9)°, respectively, while the dihedral angles of the olefinic planes with the carbazole planes are 19.37?(3) and 10.74?(6)°. These dihedral angles are consistent with those in 9-ethenylcarbazole and an ethenylboronic ester derivative. The N-Csp(2), B-Csp(2) and C=C bond lengths suggest that the contribution of the canonical structure can be described as N(+)=C-C=B(-).

| S-EPMC3254436 | biostudies-literature

4,4,5,5-Tetra-methyl-1,3,2?-dioxa-phospho-lan-2-one.

Project description:The five-membered ring in the title compound, C(6)H(13)O(3)P, exists in an envelope conformation with one of the ring C atoms at the flap position. The coordination geometry around the P atom is a distorted tetra-hedron. The crystal structure is stabilized by several weak C-H?O and P-H?O hydrogen bonds, forming a three-dimensional network.

| S-EPMC3213595 | biostudies-literature

Crystal structure of 5,10,15-triphenyl-20-(4,4,5,5-tetra-methyl-1,3,2-dioxaborolan-2-yl)porphyrin.

Project description:In the title compound, C44H37BN4O2, the dihedral angle between the plane of the porphyrin macrocycle ring system [r.m.s. deviation = 0.159?(1)?Å] and those of three phenyl rings are 66.11?(4), 74.75?(4) and 57.00?(4)°. The conformational distortion is characterized by a mixture of ruffled, saddle and in-plane distortion modes. In the crystal, the porphyrin mol-ecules are linked by C-H?? inter-actions into supra-molecular chains running along the a-axis direction. A pair of bifurcated N-H?(N,N) hydrogen bonds occur across the central region of the macrocycle.

| S-EPMC4257212 | biostudies-literature

1,3-Dimethyl 5-(4,4,5,5-tetra-methyl-1,3,2-dioxaborolan-2-yl)benzene-1,3-dicarboxyl-ate.

Project description:The title compound, C(16)H(21)BO(6), has has approximate C(2) symmetry, but no crystallographically imposed mol-ecular symmetry. In the crystal, mol-ecules are packed into parallel columns along the a axis. Short inter-molecular C-H⋯O contacts stabilize the crystal packing.

| S-EPMC3274972 | biostudies-literature

2,2'-(3,3'-Dihexyl-2,2'-bithio-phene-5,5'-di-yl)bis-(4,4,5,5-tetra-methyl-1,3,2-dioxaborolane).

Project description:In the title mol-ecule, C(32)H(52)B(2)O(4)S(2), the two thio-phene rings are twisted by 67.34?(2)°. In the crystal, weak C-H?O hydrogen bonds link mol-ecules related by translation along the a axis into chains.

| S-EPMC3239133 | biostudies-literature

Ethyl 6-methyl-4-[2-(4,4,5,5-tetra-methyl-1,3,2-dioxaborolan-2-yl)thio-phen-3-yl]-2-thioxo-1,2,3,4-tetra-hydro-pyrimidine-5-carboxyl-ate.

Project description:A new Biginelli compound, C(18)H(25)BN(2)O(4)S(2), containing a boronate ester group was synthesized from a lithium bromide-catalysed reaction. The compound crystallizes with two independent mol-ecules in the asymmetric unit that differ mainly in the conformation of the ester functionality. The crystal structure is stabilized by inter-molecular N-H?O and N-H?S hydrogen bonds involving the 3,4-dihydro-pyrimidine-2(1H)-thione NH groups as donors and the carbonyl O and thio-phene S atoms as acceptors.

| S-EPMC2961284 | biostudies-literature

9,9-Dioctyl-2,7-bis-(4,4,5,5-tetra-methyl-1,3,2-dioxaborolan-2-yl)-9H-fluorene.

Project description:In the title mol-ecule, C(41)H(64)B(2)O(4), the fluorene unit is essentially planar and the two octyl chains attached to the central C atom inhibit the mol-ecule from engaging in inter-molecular aromatic inter-actions. One of the octyl chains adopts a fully extended conformation, whereas the second incorporates a single gauche conformation. Of the two pinacolatoboronate groups attached at the 2,7-positions, one is partly disordered; one ring C atom and all four methyl groups are disordered equally over two positions.

| S-EPMC2962215 | biostudies-other

An inter-molecular dative B?N bond in 5-(4,4,5,5-tetra-methyl-1,3,2-dioxa-borolan-2-yl)-1,3-thia-zole.

Project description:The title compound, C(9)H(14)BNO(2)S, is in an unusual bend conformation and the B atom of one mol-ecule within the crystal forms an inter-molecular dative bond with the N atom of a neighbouring mol-ecule, an infrequent phenomenon in boronic derivative crystals.

| S-EPMC2980002 | biostudies-literature

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