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1,4-Bis(4-chloro-phen-yl)-2-hydroxy-butane-1,4-dione.

ABSTRACT: In the title compound, C(16)H(12)Cl(2)O(3), the benzene rings form a dihedral angle of 2.0?(3)°. Within the central O=C-CH(2)C(H)OH-C=O unit, the carbonyl groups are coplanar and lie to opposite sides [O-C?C-O = -170.1?(6)°]. In the crystal, inter-molecular O-H?O hydrogen bonds formed between the hydr-oxy groups lead to a supra-molecular chain along the c axis. In addition, the crystal packing features some very weak C-H?? inter-actions.

SUBMITTER: Liu Y

PROVIDER: S-EPMC2979451 | biostudies-literature | 2010 May

REPOSITORIES: biostudies-literature

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1,4-Bis(4-chloro-phen-yl)-2-hydroxy-butane-1,4-dione.

Liu Yongjun Y Yang Kuiwei K Song Weiling W Qi Yan Y

Acta crystallographica. Section E, Structure reports online 20100522 Pt 6

In the title compound, C(16)H(12)Cl(2)O(3), the benzene rings form a dihedral angle of 2.0 (3)°. Within the central O=C-CH(2)C(H)OH-C=O unit, the carbonyl groups are coplanar and lie to opposite sides [O-C⋯C-O = -170.1 (6)°]. In the crystal, inter-molecular O-H⋯O hydrogen bonds formed between the hydr-oxy groups lead to a supra-molecular chain along the c axis. In addition, the crystal packing features some very weak C-H⋯π inter-actions. ...[more]

PMID: 21579502

Similar Datasets

1,4-Bis(4-chloro-phen-yl)butane-1,4-dione.

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Project description:The mol-ecule of the title compound, C(22)H(26)O(2), exhibits C(i) mol-ecular symmetry with a crystallographic inversion centre at the mid-point of the central C-C bond. A kink in the mol-ecule is defined by the torsion angle of 66.7?(2)° about this central bond of the alkyl bridge.

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1,4-Bis(3-methyl-phen-yl)piperazine-2,5-dione.

Project description:The asymmetric unit of the title compound, C(18)H(18)N(2)O(2), consists of two independent mol-ecules, each of which is located about a center of inversion. The mol-ecules are not planar, showing dihedral angles of 55.84 (9) and 54.10 (8)° between the piperazinedione and the aromatic rings. The piperazine N atoms exhibit a planar configuration. The crystal packing is stabilized by inter-molecular C-H⋯O hydrogen bonds.

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Crystal structure of (Z)-2,3-di-chloro-1,4-bis-(4-meth-oxy-phen-yl)but-2-ene-1,4-dione.

Project description:The title compound, C18H14Cl2O4, adopts a Z conformation around the cental C=C bond. The two aromatic rings of the mol-ecule are nearly perpendicular to each other, with a dihedral angle between of 86.22 (14)°. The meth-oxy substituents lie close to the plane of the attached benzene rings. The C(ar)-C(ar)-O-C(Me) torsion angles are -2.4 (7) and 7.5 (6)°. Weak C-H⋯O inter-actions link the mol-ecules forming a three-dimensional network. The crystal packing also displays short [3.160 (3) Å] Cl⋯O halogen-bonding contacts between mol-ecules related by the screw axis. The structure exhibits disorder of one carbonyl O atom with a refined occupancy ratio of 0.21 (6):0.79 (6).

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Project description:The mol-ecule of the title compound, C(30)H(24)N(2)O(2)S(2), adopts a transoid conformation consistent with the inversion centre located at the mid-point of the central C-C single bond, resulting in one half mol-ecule in the asymmetric unit. The dihedral angle between the coplanar benzothia-zole ring system and the benzene ring is 11.06 (7)°. In the crystal structure, mol-ecules are linked by weak inter-molecular π-π inter-actions between thia-zole and benzene rings to form a three-dimensional network.

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1,5-Bis(4-chloro-phen-yl)-3-(4-methyl-phen-yl)pentane-1,5-dione.

Project description:In the title mol-ecule, C24H20Cl2O2, the central methyl-benzene ring forms dihedral angles of 42.47?(10) and 34.34?(10)° with the terminal 4-chloro-phenyl fragments. The dihedral angle between the chloro-benzene rings is 34.45?(11)°. A weak intra-molecular C-H?O inter-action generates an S(6) ring motif. The crystal packing exhibits weak C-H?O hydrogen bonds and C-H?? inter-actions.

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Synthesis and crystal structures of (2E)-1,4-bis-(4-chloro-phen-yl)but-2-ene-1,4-dione and (2E)-1,4-bis-(4-bromo-phen-yl)but-2-ene-1,4-dione.

Project description:The mol-ecular structure of (2E)-1,4-bis-(4-chloro-phen-yl)but-2-ene-1,4-dione [C16H10Cl2O2, (1)] is composed of two p-chlorophenyl rings, each bonded on opposite ends to a near planar 1,4-trans enedione moiety [-C(=O)-CH=CH-(C=O)-] [r.m.s. deviation = 0.003?(1)?Å]. (2E)-1,4-Bis(4-bromo-phen-yl)but-2-ene-1,4-dione [C16H10Br2O2, (2)] has a similar structure to (1), but with two p-bromophenyl rings and a less planar enedione group [r.m.s. deviation = 0.011?(1)?Å]. Both mol-ecules sit on a center of inversion, thus Z' = 0.5. The dihedral angles between the ring and the enedione group are 16.61?(8) and 15.58?(11)° for (1) and (2), respectively. In the crystal, mol-ecules of (1) exhibit C-Cl?Cl type I inter-actions, whereas mol-ecules of (2) present C-Br?Br type II inter-actions. van der Waals-type inter-actions contribute to the packing of both mol-ecules, and the packing reveals face-to-face ring stacking with similar inter-planar distances of approximately 3.53?Å.

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