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1-Allyl-3,3-di-p-tolyl-indolin-2-one.

ABSTRACT: In the title compound, C(25)H(23)NO, the indoline system is essentially planar. The mol-ecular structure is stabilized by weak intra-molecular C-H?N inter-actions and the crystal packing is determined by inter-molecular C-H?? inter-actions.

SUBMITTER: Nirmala S

PROVIDER: S-EPMC2961180 | BioStudies | 2008-01-01T00:00:00Z

REPOSITORIES: biostudies

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1-Allyl-3,3-diphenyl-indolin-2-one.

Project description:In the title compound, C(23)H(19)NO, the oxindole residue is essentially planar and is almost perpendicular to the phenyl rings [dihedral angles = 72.1?(6) and 77.6?(6)°]. The mol-ecular packing is stabilized by C-H?O hydrogen bonds and C-H?N inter-actions.

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Dimethyl [1-(1-allyl-5-iodo-1H-indol-3-yl)-3-hydroxy-prop-yl]phospho-nate.

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Project description:The mol-ecule of the title compound, C(18)H(12)N(2)O(4), is situated on a crystallographic centre of symmetry. The mol-ecule has a zigzag structure, with two parallel symmetry-related indoline-2,3-dione fragments linked by an ethyl-ene group at each N atom. In the crystal, the mol-ecules stack in columns along the b axis. There are two such columns in the structure. The mol-ecules within each column are parallel; however, the mol-ecules in the two columns differ in the respective orientation of the indoline-2,3-dione fragments. In one column, they are approximately parallel to (112), while in the other they are approximately parallel to (12). The inter-planar angle between the indoline-2,3-dione fragments in the two columns is 80.83?(3)°. The mol-ecules within each column are related by mutual displacement of their centres of symmetry, that is (0, ±1/2, ±1/2). The packing between the mol-ecules is provided by weak inter-actions only, viz. C-H?O hydrogen bonds and ?-? [centroid-centroid distance = 3.8745?(8)?Å] and C=O?? inter-actions.

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(Z)-Methyl 2-[(4-bromo-2-formyl-phen-oxy)meth-yl]-3-o-tolyl-acrylate.

Project description:In the title compound, C(19)H(17)BrO(4), the dihedral angle between the two benzene rings is 82.1?(1)°. The mol-ecular structure is stabilized by an intra-molecular C-H?O hydrogen bond which generates an S(7) ring motif. The crystal packing is stabilized by inter-molecular C-H?O hydrogen bonds and C-H?? inter-actions. Inter-molecular C-H?O inter-actions are involved in the formation of centrosymmetric R(2) (2)(16) dimers, which are connected into supra-molecular tapes running along the [100] direction.

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(Z)-3-[(E)-3-Phenyl-allyl-idene]indolin-2-one.

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Crystal structure of 1'-(prop-2-yn-1-yl)-1,4-di-hydro-spiro-[benzo[d][1,3]oxazine-2,3'-indolin]-2'-one.

Project description:In the title compound, C18H14N2O2, the six-membered oxazine ring adopts a half-chair conformation and its mean plane makes a dihedral angle of 83.23?(7)° with the pyrrolidine ring of the indoline ring system. In the crystal, mol-ecules are linked via N-H?O hydrogen bonds, forming chains along [100]. The chains are linked by C-H?? inter-actions, forming slabs parallel to (001).

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3,3-Dimethyl-cis-2,6-di-p-tolyl-piperidin-4-one.

Project description:In the title mol-ecule, C(21)H(25)NO, the piperidine ring adopts a chair conformation. The benzene rings and one of the methyl groups attached to the piperidine ring have equatorial orientations. The dihedral angle between the two benzene rings is 72.53?(9)°. In the crystal, mol-ecules are linked by N-H?O hydrogen bonds. Weak C-H?? inter-actions involving the benzene rings are also present in the crystal structure.

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Distinct coordination geometries in bis-[N,N-bis-(2-meth-oxy-eth-yl)di-thio-carbamato-?(2) S,S']di-phenyltin(IV) and bis-[N-(2-meth-oxy-eth-yl)-N-methyl-dithio-carbamato-?(2) S,S']di-phenyl-tin(IV): crystal structures and Hirshfeld surface analysis.

Project description:The crystal and mol-ecular structures of two di-phenyl-tin bis-(di-thio-carbamate)s, [Sn(C6H5)2(C5H10NOS2)2], (I), and [Sn(C6H5)2(C7H14NO2S2)2], (II), are described. In (I), in which the metal atom lies on a twofold rotation axis, the di-thio-carbamate ligand coordinates with approximately equal Sn-S bond lengths and the ipso-C atoms of the Sn-bound phenyl groups occupy cis-positions in the resulting octa-hedral C2S4 donor set. A quite distinct coordination geometry is noted in (II), arising as a result of quite disparate Sn-S bond lengths. Here, the four S-donors define a trapezoidal plane with the ipso-C atoms lying over the weaker of the Sn-S bonds so that the C2S4 donor set defines a skewed trapezoidal bipyramid. The packing of (I) features supra-molecular layers in the ab plane sustained by methyl-ene-C-H??(Sn-ar-yl) inter-actions; these stack along the c-axis direction with no specific inter-actions between them. In (II), supra-molecular chains along the b-axis direction are formed by methyl-ene-C-O(ether) inter-actions; these pack with no directional inter-actions between them. A Hirshfeld surface analysis was conducted on both (I) and (II) and revealed the dominance of H?H inter-actions contributing to the respective surfaces, i.e. >60% in each case, and other features consistent with the description of the mol-ecular packing above.

2016-01-01 | S-EPMC4971856 | BioStudies

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