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Ethyl 5-((1E)-1-{(E)-2-[1-(4-eth-oxy-carbonyl-3-methyl-1,2-oxazol-5-yl)ethyl-idene]hydrazin-1-yl-idene}eth-yl)-3-methyl-1,2-oxazole-4-carboxyl-ate.

ABSTRACT: The complete mol-ecule of the title compound, C(18)H(22)N(4)O(6), is generated by the application of a twofold axis of symmetry. Twists are evident in the mol-ecule, i.e. between each -C=N-N group and the adjacent oxazole ring [dihedral angle = 46.08?(12) °] and between the latter and attached ester group [excluding the terminal methyl group; dihedral angle = 24.4?(7) °]. In the crystal, C-H?O and ?-? [3.5990?(11)?Å] contacts connect mol-ecules into supra-molecular arrays in the ac plane. These stack along the b axis, being connected by weak ?-? [3.3903?(11)?Å] inter-actions.

SUBMITTER: Asiri AM

PROVIDER: S-EPMC3200773 | biostudies-literature | 2011 Sep

REPOSITORIES: biostudies-literature

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Ethyl 5-((1E)-1-{(E)-2-[1-(4-eth-oxy-carbonyl-3-methyl-1,2-oxazol-5-yl)ethyl-idene]hydrazin-1-yl-idene}eth-yl)-3-methyl-1,2-oxazole-4-carboxyl-ate.

Asiri Abdullah M AM Al-Youbi Abdulrahman O AO Faidallah Hassan M HM Ng Seik Weng SW Tiekink Edward R T ER

Acta crystallographica. Section E, Structure reports online 20110811 Pt 9

The complete mol-ecule of the title compound, C(18)H(22)N(4)O(6), is generated by the application of a twofold axis of symmetry. Twists are evident in the mol-ecule, i.e. between each -C=N-N group and the adjacent oxazole ring [dihedral angle = 46.08 (12) °] and between the latter and attached ester group [excluding the terminal methyl group; dihedral angle = 24.4 (7) °]. In the crystal, C-H⋯O and π-π [3.5990 (11) Å] contacts connect mol-ecules into supra-molecular arrays in the ac plane. These ...[more]

PMID: 22058944

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Crystal structure of ethyl 2-[2-((1E)-{(1E)-2-[2-(2-eth-oxy-2-oxoeth-oxy)benzyl-idene]hydrazin-1-yl-idene}meth-yl)phen-oxy]acetate.

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[2-(1-{2-[Aza-nid-yl(ethyl-sulfan-yl)methyl-idene-?N]hydrazin-1-yl-idene-?N(1)}eth-yl)phenolato-?O](dimethyl sulfoxide-?O)dioxidomolybdenum(VI).

Project description:The Mo(VI) atom in the title complex, [Mo(C(11)H(13)N(3)OS)O(2)(C(2)H(6)OS)], is N,N',O-coordinated by the dianionic tridentate ligand, two mutually cis oxide O atoms and a dimethyl sulfoxide O atom, defining a distorted octa-hedral N(2)O(4) donor set. The most prominent feature of the crystal packing is the formation of inversion dimers via pairs of N-H?O hydrogen bonds and eight-membered {?HNMoO}(2) loops. The Schiff base ligand is disordered over two orientations of equal occupancy.

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Project description:In the title co-crystal, C(12)H(10)N(4)·2C(7)H(6)O(2), the complete 4-pyridine-aldazine mol-ecule is generated by a crystallographic centre of inversion. In the crystal, mol-ecules are connected into a three component aggregate via O-H?N hydrogen bonds. As both the benzoic acid [O-C-C-C torsion angle = 174.8?(2)°] and 4-pyridine-aldazine (r.m.s. deviation of the 16 non-H atoms = 0.041?Å) mol-ecules are almost planar, the resulting three-component aggregate is essentially planar. The crystal packing comprises layers of the three-component aggregates of alternating orientation stacked along the b axis; the connections between the mol-ecules are of the types C-H?? and ?-? [pyridine-benzene centroid-centroid distance = 3.787?(4)?Å].

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(E)-1-Phenyl-2-({5-[(1E)-(2-phenyl-hydrazin-1-yl-idene)meth-yl]-2-thien-yl}methyl-idene)hydrazine.

Project description:The title mol-ecule, C(18)H(16)N(4)S, adopts a U-shape with the aromatic groups lying syn and orientated in the same direction as the thio-phene S atom. The conformation about each of the C=N bonds is E. Overall, the mol-ecule is curved as seen in the dihedral angle of 30.26 (19)° formed between the terminal benzene rings. In the crystal, supra-molecular chains along the c axis are formed by a combination of N-H⋯N hydrogen bonds and N-H⋯π inter-actions.

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Project description:In the title compound, C25H26N2O2S2, the central CN2S2 atoms are almost coplanar (r.m.s. deviation = 0.0058 Å). One phenyl ring clearly lies to one side of the central plane, while the other is oriented in the plane but splayed. Despite the different relative orientations, the phenyl rings form similar dihedral angles of 64.90 (3) and 70.06 (3)° with the central plane, and 63.28 (4)° with each other. The benzene ring is twisted with respect to the central plane, forming a dihedral angle of 13.17 (7)°. The S2C=N, N-N and N-N=C bond lengths of 1.2919 (19), 1.4037 (17) and 1.2892 (19) Å, respectively, suggest limited conjugation over these atoms; the configuration about the N-N=C bond is E. An intra-molecular O-H⋯N hydrogen bond is noted. In the crystal, phen-yl-meth-oxy C-H⋯O and phen-yl-phenyl C-H⋯π inter-actions lead to supra-molecular double chains parallel to the b axis. These are connected into a layer via meth-yl-phenyl C-H⋯π inter-actions, and layers stack along the a axis, being connected by weak π-π inter-actions between phenyl rings [inter-centroid distance = 3.9915 (9) Å] so that a three-dimensional architecture ensues.

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