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(Cinnamato-?(2)O,O')(5,5,7,12,12,14-hexa-methyl-1,4,8,11-tetra-aza-cyclo-tetra-decane-?(4)N,N',N'',N''')nickel(II) perchlorate monohydrate.

ABSTRACT: In the title compound, [Ni(C(9)H(7)O(2))(C(16)H(36)N(4))]ClO(4)·H(2)O, the macrocyclic 5,5,7,12,12,14-hexa-methyl-1,4,8,11-tetra-aza-cyclo-tetra-decane ligand (L) folds around the Ni(II) atom, which is also chelated by the carboxyl-ate group. The geometry is a distorted N(4)O(2) octa-hedron. In the crystal, adjacent mol-ecules are connected by O-H?O and N-H?O hydrogen bonds into a zigzag chain parallel to [010].

SUBMITTER: Gao Q

PROVIDER: S-EPMC3414150 | biostudies-literature | 2012 Aug

REPOSITORIES: biostudies-literature

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(Cinnamato-κ(2)O,O')(5,5,7,12,12,14-hexa-methyl-1,4,8,11-tetra-aza-cyclo-tetra-decane-κ(4)N,N',N'',N''')nickel(II) perchlorate monohydrate.

Gao Qiang Q Cao Yi-Cheng YC

Acta crystallographica. Section E, Structure reports online 20120721 Pt 8

In the title compound, [Ni(C(9)H(7)O(2))(C(16)H(36)N(4))]ClO(4)·H(2)O, the macrocyclic 5,5,7,12,12,14-hexa-methyl-1,4,8,11-tetra-aza-cyclo-tetra-decane ligand (L) folds around the Ni(II) atom, which is also chelated by the carboxyl-ate group. The geometry is a distorted N(4)O(2) octa-hedron. In the crystal, adjacent mol-ecules are connected by O-H⋯O and N-H⋯O hydrogen bonds into a zigzag chain parallel to [010]. ...[more]

PMID: 22904757

Similar Datasets

(2-Amino-benzoato-κO,O')(rac-5,5,7,12,12,14-hexa-methyl-1,4,8,11-tetra-aza-cyclo-tetra-decane-κN,N',N'',N''')nickel(II) perchlorate monohydrate.

Project description:In the title salt, [Ni(C(7)H(6)NO(2))(C(16)H(36)N(4))]ClO(4)·H(2)O, the Ni(II) cation is O,O'-chelated by the benzoate anion and N,N',N'',N'''-chelated by the macrocycle ligand, confering a distorted octa-hedral geometry on the metal atom. The complex cations, perchlorate anions and uncoordinated water mol-ecules are linked by N-H⋯O and O-H⋯O hydrogen bonds into a three-dimensional network. The perchlorate ion is disordered over two positions in a 0.554 (8):0.446 (8) ratio.

| S-EPMC2983378 | biostudies-literature

(Benzoato-κO,O')(5,5,7,12,12,14-hexa-methyl-1,4,8,11-tetra-azacyclo-tetra-decane-κN,N',N'',N''')nickel(II) perchlorate monohydrate.

Project description:The Ni atom in the title salt, [Ni(C(7)H(5)O(2))(C(16)H(36)N(4))]ClO(4)·H(2)O, is in a six-coordinate octa-hedral geometry. The metal atom is chelated by the carboxyl-ate group, and the macrocyclic ligand adopts a folded configuration. The cation, anion and water mol-ecules engage in hydrogen bonding to form a layer structure.

| S-EPMC2961933 | biostudies-literature

cis-(Acetato-?(2)O,O')(5,5,7,12,12,14-hexa-methyl-1,4,8,11-tetra-aza-cyclo-tetra-decane-?(4)N,N',N'',N''')nickel(II) perchlorate monohydrate.

Project description:The complete cation in the title hydrated mol-ecular salt, [Ni(CH(3)CO(2))(C(16)H(36)N(4))]ClO(4)·H(2)O, is generated by the application of crystallographic twofold symmetry; the perchlorate anion and water mol-ecule are each disordered around a twofold axis. The Ni(II) atom exists within a cis-N(4)O(2) donor set based on a strongly distorted octa-hedron and defined by the four N atoms of the macrocyclic ligand and two O atoms of a symmetrically coordinating acetate ligand. In the crystal, hydrogen bonding (water-acetate/perchlorate O-H?O and amine-perchlorate N-H?O) leads to layers in the ab plane. The layers stack along the c axis, being connected by C-H?O(water) inter-actions. The crystal studied was found to be a non-merohedral twin; the minor component refined to 15.9?(6)%.

| S-EPMC3343905 | biostudies-other

(2-Carb-oxy-acetato-?O,O)(rac-5,5,7,12,12,14-hexa-methyl-1,4,8,11-tetra-aza-cyclo-tetra-decane-?N,N',N'',N''')nickel(II) perchlorate acetonitrile solvate.

Project description:In the crystal structure of the title salt, [Ni(C(3)H(3)O(4))(C(16)H(36)N(4))]ClO(4)·CH(3)CN, the macrocycle folds around the Ni(II) atom, which is also chelated by the carboxyl-ate monoanion. The geometry is a distorted NiN(4)O(2) octa-hedron. The formula units are connected by N-H?O hydrogen bonds into centrosymmetric dimers. Further N-H?O and O-H?O hydrogen bonds link the complex mol-ecules and the perchlorate ions.

| S-EPMC3009135 | biostudies-literature

Bis(5,5,7,12,12,14-hexa-methyl-1,4,8,11-tetra-azacyclo-tetra-decane-?N)(?-l-mal-ato-?O,O:O,O)dinickel(II) bis(perchlorate) monohydrate.

Project description:In the crystal structure of the title dinuclear compound, [Ni(2)(C(4)H(4)O(5))(C(16)H(36)N(4))(2)](ClO(4))(2)·H(2)O, the bridg-ing di-car-box-yl-ate dianion O,O'-chelates to two Ni atoms, both of which are also chelated by the N-macrocylic ligand. The Ni atoms exhibit a distorted octa-hedral coordination. N-H?O and O-H?O hydrogen bonds link the cations and the uncoordinated water mol-ecules into a layer structure; the perchlorate anions occupy the space between adjacent layers, and are only weakly linked to the layers. One of the perchlorate anions is disordered over two sets of sites in a 3:2 ratio.

| S-EPMC2969409 | biostudies-literature

catena-Poly[[[(5,5,7,12,12,14-hexa-methyl-1,4,8,11-tetra-aza-cyclo-tetra-decane-κ(4)N)nickel(II)]-μ-oxido-[dioxidotungstate(VI)]-μ-oxido] tetra-hydrate].

Project description:In the title compound, {[NiWO(4)(C(16)H(36)N(4))]·4H(2)O}(n), the Ni(II) ion lies on an inversion center and is octahedrally coordinated by four N atoms of the tetradentate macrocyclic 5,5,7,12,12,14-hexa-methyl-1,4,8,11-tetra-aza-cyclo-tetra-decane (L) ligand in the equatorial plane and two O atoms of [WO(4)](2-) anions in axial positions. Each [WO(4)](2-) anion bridges two adjacent [NiL](2+) cations, forming a chain along [001]. The chains are further connected via N-H⋯O, O-H⋯O and C-H⋯O hydrogen-bonding inter-actions, generating a three-dimensional structure.

| S-EPMC3435596 | biostudies-literature

(2-Carboxy-benzoato-?O,O)(5,5,7,12,12,14-hexa-methyl-1,4,8,11-tetra-azacyclo-tetra-decane-?N)nickel(II) perchlorate monohydrate.

Project description:The title compound, [Ni(C(8)H(5)O(4))(C(16)H(36)N(4))]ClO(4)·H(2)O, has the Ni(II) atom in a distorted octa-hedral geometry, surrounded by coordination by four N atoms of the 5,5,7,12,12,14-hexa-methyl-1,4,8,11-tetra-azacyclo-tetra-decane ligand in a folded configuration, and two carboxyl-ate O atoms of the 2-carboxy-benzoate ligand in cis positions. The complex cation, the disordered perchlorate anion [occupancies 0.639?(8):0.361?(8)] and uncoordinated water mol-ecules engage in N-H?O and O-H?O hydrogen bonding, forming a layer structure parallel to (010).

| S-EPMC2969201 | biostudies-other

Bromido(meso-5,5,7,12,12,14-hexa-methyl-1,4,8,11-tetra-aza-cyclo-tetra-deca-1,7-diene)copper(II) bromide dihydrate.

Project description:There are two formula units (Z' = 2) in the asymmmetric unit of the title compound, [CuBr(C(16)H(32)N(4))]Br·2H(2)O. The title crystal consists of two [Cu(C(16)H(32)N(4))](2+) cations, two Br(-) anions and four uncoordinated water mol-ecules. The metal atom is five-coordinate square pyramidal, with a long apical Cu-Br bond [2.9734?(11) and 2.9229?(11)?Å in the two cations]. The two cations form a loosely associated dimer through the formation of hydrogen bonds between both N-H and O-H and Br(-). In addition, there is a network of N-H?Br, O-H?Br and N-H?O hydrogen bonds, leading to the formation of a chain structure.

| S-EPMC3089360 | biostudies-literature

Crystal structures of two nickel(II) macrocyclic salts: (5,7,7,12,12,14-hexa-methyl-1,4,8,11-tetra-aza-cyclo-tetra-deca-ne)nickel(II) bis-(perchlorate) monohydrate and (5,7,7,12,12,14-hexa-methyl-1,4,8,11-tetra-aza-cyclo-tetra-deca-ne)nickel(II) dibromide trihydrate.

Project description:The crystal structure of the Ni-14 macrocycle salt, (5,7,7,12,12,14-hexa-methyl-1,4,8,11-tetra-aza-cyclo-tetra-deca-ne)nickel(II) bis-(perchlorate) hemihydrate, [Ni(C16H36N4)]2(ClO4)4·H2O, contains two different diasteriomeric macrocyclic cations in the asymmetric unit, one with two NH protons on each side of the cation (Ia), and the other with all four NH protons on the same side (Ib). The crystal structure of the bromide trihydrate salt of the same Ni-14 macrocyclic cation, namely (5,7,7,12,12,14-hexa-methyl-1,4,8,11-tetra-aza-cyclo-tetra-deca-ne)nickel(II) dibromide trihydrate, [Ni(C16H36N4)]Br2·3H2O (II), contains only the same diastereomer as Ib, with the four N-H bonds on the same side. The geometry around the Ni atom differs slightly between the two diastereomeric cations, as the mean Ni-N distance in Ia is 1.952 (2) Å, while that for Ib and II is 1.928 (2) Å. The hexa-methyl substitution in all three macrocyclic cations has the two dimethyl-substituted C atoms cis to one another, different from the trans 5,5,7,12,12,14-hexa-methyl Ni-14 cations found in all but one of the many published crystal structures of hexa-methyl Ni-14 macrocycles. In each of the two crystal structures, the anions, water mol-ecules, and N-H protons of the macrocyclic cations form extensive hydrogen-bonded zigzag chains propagating along [001] in I and [010] in II.

| S-EPMC6399696 | biostudies-literature

(Acetato-?O)(2,5,5,7,9,12,12,14-octa-methyl-1,4,8,11-tetra-aza-cyclo-tetra-decane-?N,N',N'',N''')zinc perchlorate.

Project description:The Zn(II) atom in the cation of the title salt, [Zn(C(2)H(3)O(2))(C(18)H(40)N(4))]ClO(4), is five-coordinated by the four N atoms of the macrocycle and the O atom of the monodentate acetate ligand. The N(4)O donor set is based on a trigonal bipyramid with two N atoms occupying axial positions [N-Zn-N = 170.89?(16)°]. The perchlorate anions are associated with the cations via N-H?O hydrogen bonds; intra-molecular N-H?O(acetate) inter-actions are also observed. The neutral aggregates are connected into an helical chain along the b axis via N-H?O(acetate) hydrogen bonds. The perchlorate anion was found to be disordered about a pseudo-threefold axis: the major component of the disorder had a site occupancy factor of 0.692?(11).

| S-EPMC3238594 | biostudies-literature

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