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(2E)-1-(4-Chloro-phen-yl)-3-(4-nitro-phen-yl)prop-2-en-1-one.

ABSTRACT: In the title compound, C15H10ClNO3, a substituted chalcone, the dihedral angle between the benzene rings is 5.1?(7)°. The nitro group makes a dihedral angle of 12.5?(3)° with the benzene ring to which it is attached. In the crystal, weak C-H?O inter-actions link the mol-ecules into a one-dimensional array along [010]. The crystal studied was an inversion twin, with a refined ratio for the twin components of 0.6060?(9):0.3939?(1).

SUBMITTER: Yamuna TS

PROVIDER: S-EPMC3648313 | biostudies-literature | 2013 May

REPOSITORIES: biostudies-literature

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(2E)-1-(4-Chloro-phen-yl)-3-(4-nitro-phen-yl)prop-2-en-1-one.

Yamuna T S TS Yathirajan H S HS Jasinski Jerry P JP Keeley Amanda C AC Narayana B B Sarojini B K BK

Acta crystallographica. Section E, Structure reports online 20130427 Pt 5

In the title compound, C15H10ClNO3, a substituted chalcone, the dihedral angle between the benzene rings is 5.1 (7)°. The nitro group makes a dihedral angle of 12.5 (3)° with the benzene ring to which it is attached. In the crystal, weak C-H⋯O inter-actions link the mol-ecules into a one-dimensional array along [010]. The crystal studied was an inversion twin, with a refined ratio for the twin components of 0.6060 (9):0.3939 (1). ...[more]

PMID: 23723933

Similar Datasets

(2E)-1-(3-Chloro-phen-yl)-3-(4-chloro-phen-yl)prop-2-en-1-one.

Project description:The title compound, C(15)H(10)Cl(2)O, is a chalcone with 3-chloro-phenyl and 4-chloro-phenyl substituents bonded at the opposite ends of a propenone group, the biologically active region. The dihedral angle between mean planes of these two chloro-substituted benzene rings is 46.7?(7)° compared to 46.0?(1) and 32.4?(1)° in similar published sructures. The angles between the mean plane of the prop-2-en-1-one group and the mean planes of the 3-chloro-phenyl and 4-chloro-phenyl rings are 24.1?(2) and 29.63°, respectively. While no classical hydrogen bonds are present, weak inter-molecular C-H??-ring inter-actions are observed, which contribute to the stability of crystal packing.

| S-EPMC2971255 | biostudies-literature

(2E)-3-(4-Bromo-phen-yl)-1-(3-chloro-phen-yl)prop-2-en-1-one.

Project description:In the title compound, C(15)H(10)BrClO, the dihedral angle between mean planes of the bromo- and chloro-substituted benzene rings is 46.2?(2)° compared to 45.20?(9)° in the structure with the Cl substituent in the meta position of the aromatic ring. The dihedral angles between the mean plane of the prop-2-ene-1-one group and the mean planes of the 4-bromo-phenyl and 3-chloro-phenyl rings are 28.7?(5) and 24.2?(4)°, respectively. In the crystal, weak inter-molecular C-H?? inter-actions occur.

| S-EPMC2980037 | biostudies-literature

(2E)-1-(2-Bromo-phen-yl)-3-(4-chloro-phen-yl)prop-2-en-1-one.

Project description:In the title compound, C(15)H(10)BrClO, the dihedral angle between the mean planes of the benzene rings in the ortho-bromo- and para-chloro-substituted rings is 70.5?(6)°. The dihedral angles between the mean plane of the prop-2-en-1-one group and the mean planes of the benzene rings in the 4-chloro-phenyl and 2-bromo-phenyl rings are 14.9?(3) and 63.3?(8)°, respectively. In the crystal, inversion dimers linked by pairs of weak C-H?O interactions are observed as well as aromatic ?-? stacking inter-actions.

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(2E)-1-(3-Chloro-phen-yl)-3-phenyl-prop-2-en-1-one.

Project description:In the title compound, C(15)H(11)ClO, the dihedral angle between the mean planes of the benzene ring and the chloro-substituted benzene ring is 48.8?(3)°. The dihedral angles between the mean plane of the prop-2-ene-1-one group and the mean planes of the 3-chloro-phenyl and benzene rings are 27.0?(4) and 27.9?(3)°, respectively. In the crystal, weak inter-molecular C-H??-ring inter-actions occur.

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(2E)-1-(2,5-Dimeth-oxy-phen-yl)-3-(3-nitro-phen-yl)prop-2-en-1-one.

Project description:In the title compound, C(17)H(15)NO(5), an intra-molecular C-H?O hydrogen bond generates an S(6) ring motif. The benzene rings form a dihedral angle of 6.45?(7)° with each other. In the crystal, inversion dimers linked by pairs of C-H?O hydrogen bonds generate R(2) (2)(8) loops. Adjacent dimers are further connected by C-H?O hydrogen bonds into an infinite chain along the [011] direction.

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(2E)-3-(3-Nitro-phen-yl)-1-[4-(piperidin-1-yl)phen-yl]prop-2-en-1-one.

Project description:In the title compound, C(20)H(20)N(2)O(3), the piperidine ring adopts a chair conformation and its mean plane forms dihedral angles of 19.63 (9) and 19.44 (9)°, respectively, with the benzene and the nitro-substituted benzene ring. The benzene and nitro-substituted benzene rings are almost coplanar and make a dihedral angle of 4.78 (8)°. In the crystal, mol-ecules are linked by C-H⋯O hydrogen bonds into two-dimensional networks parallel to the ab plane. The crystal packing is further stabilized by π-π inter-actions [maximum centroid-centroid distance = 3.7807 (12) Å].

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(2E)-3-(4-Chloro-phen-yl)-1-(4-hy-droxy-phen-yl)prop-2-en-1-one.

Project description:In the title compound, C(15)H(11)ClO(2), the dihedral angle between the mean planes of the chloro-benzene and hy-droxy-benzene rings is 6.5?(6)°. The mean plane of the prop-2-en-1-one group makes an angle of 18.0?(1)° with the hy-droxy-phenyl ring and 11.5?(1)° with the chloro-phenyl ring. The crystal packing is stabilized by inter-molecular O-H?O hydrogen bonds, weak C-H?O, C-H?? and ?-? stacking inter-actions [centroid-centroid distances = 3.7771?(7) and 3.6917?(7)?Å].

| S-EPMC3099984 | biostudies-literature

(2E)-1-(4-Chloro-phen-yl)-3-[4-(propan-2-yl)phen-yl]prop-2-en-1-one.

Project description:In the title compound, C18H17ClO, the dihedral angle between the benzene rings is 53.5?(1)°. The mean plane of the prop-2-en-1-one group is twisted by 24.5?(8) and 33.5?(3)° from the chloro- and propanyl-substituted rings, respectively.

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(2E)-1-(2,5-Dimethyl-thio-phen-3-yl)-3-(3-nitro-phen-yl)prop-2-en-1-one.

Project description:In the title compound, C(15)H(13)NO(3)S, the benzene ring and the five-membered heterocyclic ring are oriented at a dihedral angle of 12.00 (6)°. In the crystal, C-H⋯O inter-actions generate two types of cyclic motifs, R(2) (2)(14) and R(2) (2)(26), connecting the mol-ecules into tapes extending along [101]. In addition, there are π-π stacking inter-actions between the benzene and thio-phene rings with centroid-centroid distances of 3.7263 (14) and 3.7487 (14) Å.

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(2E)-3-(4-Chloro-phen-yl)-1-(1H-pyrrol-2-yl)prop-2-en-1-one.

Project description:In the mol-ecule of the title compound, C(13)H(10)ClNO, the benzene and pyrrole rings are oriented at a dihedral angle of 7.37?(12)°. In the crystal structure, inter-molecular N-H?O hydrogen bonds link the mol-ecules into centrosymmetric R(2) (2)(10) dimers. There are C-H?? inter-actions between benzene and pyrrole rings and a benzene C-H group. A weak ?-? inter-action between the pyrrole rings [centroid-centroid distance 3.8515?(11)?Å] further stabilizes the structure. There is also a ? inter-action between the pyrrole ring and the carbonyl group, with a carbon-centroid distance of 3.4825?(18)?Å.

| S-EPMC2961151 | biostudies-literature

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