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2,2'-Bis(4-fluoro-anilino)-3,3'-(3,6-dioxa-octane-1,8-di-yl)diquinazolin-4(3H)-one.

ABSTRACT: In the centrosymmetric title compound, C(34)H(30)F(2)N(6)O(4), the dihedral angle between the quinazolinone and fluorobenzene ring planes are 71.00 (2) and 74.94 (2)° and an intra-molecular N-H⋯O interaction stabilizes the conformation. In the crystal, C-H⋯F and C-H⋯O links help to establish the packing.

SUBMITTER: Wang X

PROVIDER: S-EPMC2967967 | biostudies-literature |

REPOSITORIES: biostudies-literature

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3,3'-Dibenzoyl-1,1'-(3,6-dioxaoctane-1,8-di-yl)dithio-urea.

Project description:In the mol-ecule of the title compound, C(22)H(26)N(4)O(4)S(2), the central O-CH(2)-CH(2)-O chain adopts a synclinal conformation [torsion angle = 65.0?(2)°]. The crystal structure is stabilized by intra-molecular N-H?O=C and inter-molecular N-H?O-C hydrogen bonds.

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3,6-Diaza-octane-1,8-diaminium diiodide.

Project description:The asymmetric unit of the title salt, C(6)H(20)N(4) (2+)·2I(-), comprises half a 3,6-diaza-octane-1,8-diaminium dication plus an I(-) anion. The dications are symmetrical and lie across crystallographic centres of inversion. In the crystal, the ions form a network involving mainly weak N-H?I inter-molecular inter-actions: two H atoms of the ammonium group form inter-actions with two I(-) anions and the H atom of the secondary amine forms a weak inter-action with a third I(-) cation. The third ammonium H atom is hydrogen bonded to a secondary amine of an adjacent cation. The backbone of the cation does not form a uniformly trans chain, but is 'kinked' [C-N-C-C torsion angle = 71.5?(2)°], probably to accommodate the direct hydrogen bond between the ammonium group and the secondary amine in an adjacent cation.

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1,8-Bis(3-chloro-anilino)-N,N'-bis-(3-chloro-phen-yl)octane-1,8-diimine.

Project description:There are two half-mol-ecules in the asymmetric unit of the title compound, C(32)H(30)Cl(4)N(4), in both of which the N-H bonds are syn to the meta-chloro substituents in the adjacent benzene ring. The other two Cl atoms of these two mol-ecules are disordered with occunpancy ratios of 0.79 (2):0.21 (2) and 0.68 (1):0.32 (1). Adjacent chloro-phenyl rings make dihedral angles of 74.3 (2) and 63.0 (2)° in the two mol-ecules. In the crystal, inter-molecular N-H⋯N hydrogen bonds link the mol-ecules into infinite chains.

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4,4'-Dibromo-2,2'-[octane-1,8-diylbis(nitrilo-methanylyl-idene)]diphenol.

Project description:The title compound, C(22)H(26)Br(2)N(2)O(2), has a centre of inversion that is located in the middle of the octyl chain; the chain displays an extended zigzag conformation. A short intra-molecular O-H⋯N hydrogen bond occurs.

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meso-5,5'-Bis[(4-fluoro-phen-yl)diazen-yl]-2,2'-(pentane-3,3-di-yl)di-1H-pyrrole.

Project description:There are two independent molecules in the asymmetric unit of the title compound, C(25)H(24)F(2)N(6), in which the N=N bonds adopt a trans configuration with distances in the range 1.262 (2)-1.269 (3) Å. The dihedral angles between heterocycles are 86.7 (2) and 85.6 (2)° in the two molecules while the dihedral angles between the heterocylic rings and the adjacent benzene rings are 13.4 (2) and 13.4 (2)° in one molecule and 5.3 (2) and 6.5 (2)° in the other. In the crystal, pairs of independent mol-ecules are held together by four N-H⋯N hydrogen bonds, forming inter-locked dimers.

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N,N'-Dibenzyl-2,2'-(3,6-dioxaoctane-1,8-diyldi-oxy)dibenzamide.

Project description:The title compound, C(34)H(36)N(2)O(6), located on a center of inversion, crystallizes with one half-mol-ecule in the asymmetric unit. The dihedral angle between the benzene rings is 86.19 (2)°. An intra-molecular N-H⋯O hydrogen bond forms a six-membered ring; it affects the conformation of the mol-ecule which adopts a folded rather than open conformation. The crystal packing is stabilized by inter-molecular C-H⋯O inter-actions.

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Project description:The mol-ecule of the title compound, C(14)H(12)N(2)O(4), lies across a crystallographic inversion centre situated at the mid-point of the C-C intra-annular bond. The mol-ecule is not planar, the dihedral angle between the aromatic rings being 50.1 (1)°. The oxime group is in an E position with respect to the -OH group and forms an intra-molecular O-H⋯N hydrogen bond. In the crystal structure, inter-molecular O-H⋯O hydrogen bonds link mol-ecules into chains propagating along [001]. The crystal structure is further stabilized by inter-molecular stacking inter-actions between the rings [centroid-to-centroid distance = 3.93 (1) Å], resulting in layers parallel to the bc plane.

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3,3'-Dimethyl-1,1'-[(1,3-dihy-droxy-propane-2,2-di-yl)dimethyl-idene]diimidazolium bis-(hexa-fluoro-phosphate).

Project description:The title compound, C(13)H(22)N(4)O(2) (2+)·2PF(6) (-), was prepared by the anion exchange of the dibromide ionic liquid with potassium hexa-fluoro-phosphate. The two imidazole rings are each planar (r.m.s. deviations = 0.0016 and 0.0060?Å) and make a dihedral angle of 45.3?(18)°. Intra-molecular O-H?F hydrogen bonds occur. Inter-molecular C-H?F, O-H?O and C-H?O hydrogen bonds stabilize the crystal structure.

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2,2'-[1,1'-(Octane-1,8-diyldioxy-dinitrilo)diethyl-idyne]diphenol.

Project description:The title compound, C(24)H(32)N(2)O(4), has a crystallographic inversion centre at the mid-point of the central C-C bond. At each end of the mol-ecule, intra-molecular O-H?N hydrogen bonds generate six-membered S(6) ring motifs. The crystal structure is stabilized by pairs of weak inter-molecular C-H?O hydrogen bonds that link neighbouring mol-ecules into R(2) (2)(40) ring motifs, which in turn form infinite one-dimensional supra-molecular ribbon structures.

| S-EPMC2970437 | biostudies-other

2,2'-[Octane-1,8-diyldioxy-bis(nitrilo-methyl-idyne)]diphenol.

Project description:The complete mol-ecule of the title compound, C(22)H(28)N(2)O(4), is generated by a crystallographic inversion centre at the mid-point of the central C-C bond. The two benzene rings are parallel to each other with a perpendicular inter-planar spacing of 1.488?(2)?Å. Intra-molecular O-H?N hydrogen bonds generate two six-membered rings with S(6) motifs. In the crystal, weak inter-molecular C-H?O hydrogen bonds link neighbouring mol-ecules into an infinite three-dimensional network, which is further stabilized by weak C-H?? inter-actions.

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