Browse
Submit Data
Databases
API
Help

Dataset Information

26 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

(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.

ABSTRACT: 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.

SUBMITTER: Ou GC

PROVIDER: S-EPMC2961933 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

(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 benzoic acid solvate.

Project description:In the title compound, [Ni(C(7)H(5)O(2))(C(16)H(36)N(4))]ClO(4)·C(7)H(6)O(2), the Ni atom displays a distorted octa-hedral coordination geometry with four N atoms of the ligand rac-5,5,7,12,12,14-hexa-methyl-1,4,8,11-tetra-azacyclo-tetra-decane (L) in a folded configuration and two benzoate (bz) O atoms. The [Ni(rac-L)(bz)](+) complex cation, perchlorate anion and benzoic acid mol-ecules engage in hydrogen bonding, with N⋯O distances between 2.970 (3) and 3.123 (3) Å and an O⋯O distance of 2.691 (3) Å.

| S-EPMC2960142 | biostudies-literature

(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

(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

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

cis-[(7R,14R)-5,5,7,12,12,14-Hexa-methyl-1,4,8,11-tetra-azacyclo-tetra-decane-?N](oxalato-?O,O')nickel(II) oxalic acid solvate.

Project description:Both mol-ecules of the title compound, [Ni(C(2)O(4))(C(16)H(36)N(4))]·C(2)H(2)O(4), are located on a crystallographic twofold rotation axis. The Ni(II) atom shows a distorted octa-hedral geometry. The crystal packing is stabilized by N-H?O and O-H?O hydrogen bonds.

| S-EPMC2969325 | biostudies-literature

3,3'-(5,5,7,12,12,14-Hexa-methyl-1,4,8,11-tetra-azacyclo-tetra-decane-1,8-diyl)di-propanonitrile methanol disolvate.

Project description:The asymmetric unit of the title compound, C(22)H(42)N(6)·2CH(4)O, comprises one half of a 14-membered tetra-azacyclo-tetra-decane macrocycle with cyano-ethyl substituents on one of the N atoms and a methanol solvent mol-ecule. The macrocycle lies about an inversion centre. The cyano-ethyl substituents are oriented so that the cyano groups lie over opposite faces of the central cavity of the macrocycle. The methanol solvate mol-ecules lie away from the cavity of the macrocycle and are linked to the macrocycles via O-H?N hydrogen bonds.

| S-EPMC2979179 | biostudies-other

Diaqua-(5,5,7,12,12,14-hexa-methyl-1,4,8,11-tetra-azacyclo-tetra-deca-ne)nickel(II) tetra-cyanidonickelate(II).

Project description:In the title complex, [Ni(C(16)H(36)N(4))(H(2)O)(2)][Ni(CN)(4)], the [Ni(teta)(H(2)O)(2)](2+) cations (teta = 5,5,7,12,12,14-hexa-methyl-1,4,8,11-tetra-azacyclo-tetra-deca-ne) and [Ni(CN)(4)](2-) anions are arranged in an alternating fashion through electrostatic and N-H?N and O-H?N hydrogen-bonding inter-actions, forming a two-dimensional layered structure. Adjacent layers are linked through weak van der Waals inter-actions, resulting in a three-dimensional supra-molecular network.

| S-EPMC2970059 | biostudies-literature

(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.

Project description: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].

| S-EPMC3414150 | biostudies-literature

[4-Carboxy-imidazole-5-carboxyl-ato(2-)-?N,O](5,5,7,12,12,14-hexa-methyl-1,4,8,11-tetra-azacyclo-tetra-decane-?N,N',N'',N''')nickel(II) monohydrate.

Project description:The 4-carboxy-imidazole-5-carboxyl-ate(2-) dianion in the title compound, [Ni(C(5)H(2)N(2)O(4))(C(16)H(36)N(4))]·H(2)O, N,O'-chelates to the Ni(II) atom, which shows an octa-hedral coordination. The macrocycle folds itself around the metal atom and binds to it through four secondary nitrogen atoms; adjacent molecules are linked by N-H?O hydrogen bonds into a linear chain. The water molecule is disordered over two positions.

| S-EPMC2972002 | biostudies-literature

(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

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data