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(2E)-2-[(2H-1,3-Benzodioxol-5-yl)methyl-idene]-2,3-dihydro-1H-inden-1-one.

ABSTRACT: In the title compound, C(17)H(12)O(3), each of the five-membered rings in the inden-1-one and 1,3-benzodioxole residues is almost planar (r.m.s. deviations = 0.041 and 0.033 Å, respectively). A small twist about the single bond linking the two residues is evident [the C-C-C-C torsion angle = 8.7 (4)°]. Supra-molecular zigzag layers propagating in the ac plane are formed in the crystal via C-H⋯O inter-actions. The layers are linked via π-π inter-actions between the five- and six-membered rings of 1,3-benzodioxole residues [centroid-centroid distance = 3.4977 (14) Å].

SUBMITTER: Asiri AM

PROVIDER: S-EPMC3343980 | biostudies-literature |

REPOSITORIES: biostudies-literature

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(2E)-2-(Furan-2-yl-methyl-idene)-2,3-dihydro-1H-inden-1-one.

Project description:In the title compound, C(14)H(10)O(2), the five-membered ring of the inden-1-one residue is almost planar (r.m.s. deviation = 0.035?Å). A twist about the single bond linking the two residues is evident [C-C-C-C torsion angle = -13.2?(5)°]. The three-dimensional architecture is stabilized by C-H?O (involving the trifurcated carbonyl O atom), C-H?? and ?-? inter-actions [between the five- and six-membered rings of inden-1-one residues; ring centroid-centroid distance = 3.7983?(17)?Å]. The sample studied was a non-merohedral twin; the minor component refined to approximately 36%.

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Project description:In the title compound, C(18)H(16)N(2), there are two independent half-mol-ecules (A and B) in the asymmetric unit, each mol-ecule being completed by an inversion center situated in the mid-point of the central N-N bond. The mol-ecules themselves therefore are essentially planar with r.m.s. deviations of 0.015?(1) and 0.020?(1)?Å, respectively. In the crystal, mol-ecules are connected via C-H?? inter-actions in which only type B mol-ecules are donors, while both A and B mol-ecules act as acceptors. As a result, type B mol-ecules are linked into infinite chains along b, which are inter-connected by molecules of type A.

| S-EPMC3435753 | biostudies-literature

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Project description:In the title compound, C(14)H(13)ClO(5), the five-membered ring is in an envelope conformation with the methyl-ene C-atom being the flap. The conformation about the C=C double bond [1.341?(2)?Å] is E. The chloro-propan-2-one residue is approximately orthogonal to the remaining mol-ecule [dihedral angle = 88.03?(6)°]. In the crystal, the mol-ecules associate via C-H?O inter-actions, involving both carbonyl-O atoms, giving rise to an undulating two-dimensional array in the ac plane.

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Project description:The mol-ecule of the title compound, C(17)H(15)NO(3), is slightly twisted, with a dihedral angle of 12.12?(3)° between the dihydro-indenone group and the pyridine ring. In the crystal, mol-ecules are connected into layers parallel to the ab plane via inter-molecular C-H?O hydrogen bonds. Weak ?-? [centroid-centroid distance = 3.5680?(6)?Å] inter-actions are also observed.

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Project description:The title compound, C(18)H(14)O, is polymorphic at 123?K. The ortho-rhom-bic form reported herein has two independent mol-ecules in the asymmetric unit, with mol-ecular volume 313.5?Å(3). The previously reported triclinic (P-1) form [Raston & Scott (2000 ?). Green Chem., 2, 49-52] has mol-ecular volume 309.6?Å(3) at the same temperature. All three mol-ecules deviate significantly and systematically from the putative C(s) symmetry (?(r.m.s.) = 0.0265, 0.0256, 0.0497?Å). Comparison of the two molecules in the orthorhombic polymorph shows that 16 of the 19 equivalent pairs of framework atoms have a mirror-image pattern of deviations (above/below plane), suggesting that the two are quasi-enanti-omorphs. The pattern of deviations in the triclinic form is nearly the same (13 of 19 atom pairs) as the ortho-rhom-bic form.

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Project description:The title indan-1-one derivative, C(16)H(11)BrO, is planar, the r.m.s. deviation for all 18 non-H atoms being 0.071?Å. The configuration about the C=C bond [1.337?(5)?Å] is E. In the crystal, supra-molecular layers in the ab plane are formed by C-H?O inter-actions, involving the bifurcated carbonyl O atom, as well as C-H?? inter-actions. The studied crystal was an inversion twin.

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Project description:The title indan-1-one derivative, C(18)H(14)O, is planar with an r.m.s. deviation for all 19 non-H atoms of 0.098?Å. The conformation about each of the C=C bonds [1.343?(3) and 1.349?(3)?Å] is E. Supra-molecular layers in the bc plane, mediated by C-H?O and ?-? [ring centroid-centroid distance = 3.5282?(15)?Å] inter-actions, feature in the crystal packing.

| S-EPMC3297876 | biostudies-other

3-(1,3-Benzodioxol-5-yl)-1-phenyl-2,3-dihydro-1H-naphtho[1,2-e][1,3]oxazine.

Project description:In the title compound, C(25)H(19)NO(3), the oxazine ring displays a half-chair conformation. The fused benzene ring is nearly parallel to the naphthyl ring system, the dihedral angle between this benzene ring and the naphthyl system being 8.52?(11)°. The imino group is not involved in hydrogen bonding in the crystal structure.

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Project description:In the title mol-ecule, C22H16O, the indanone ring system is approximately planar with a dihedral angle between the fused rings of 5.13?(14)°. Two benzene rings are linked together at one side of a double bond, sitting on either side of the indanone ring system and making dihedral angles of 70.30?(12) and 44.74?(13)° with it. In the crystal, hydrogen bonding is not present, but weak C-H?? or ?-? inter-actions occur and mol-ecules form a sheet-like structure in the bc plane.

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(E)-2-[4-(Trifluoro-meth-yl)benzyl-idene]-2,3-dihydro-1H-inden-1-one.

Project description:In the title mol-ecule, C(17)H(11)F(3)O, the indan ring system and the trifluoro-methyl-substituted benzene ring are approximately individually planar and form a dihedral angle of 1.81?(5)° with each other. In the crystal, mol-ecules are linked by pairs of weak bifurcated (C-H)(2)?O hydrogen bonds to form centrosymmetric dimers, generating R(2) (1)(6) and R(2) (2)(10) ring motifs. These dimers are connected by further weak C-H?O hydrogen bonds into one-dimensional chains along the b axis. Weak C-H?? inter-actions are also present.

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