Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2-Phenyl-1H-1,3,7,8-tetra-azacyclo-penta-[l]phenanthrene.

ABSTRACT: There are two molecules in the asymmetric unit of the title compound, C(19)H(12)N(4). One is almost planar [dihedral angle between the fused-ring system and the phenyl ring = 2.16?(13)°] and one is somewhat twisted [dihedral angle = 13.30?(14)°]. In the crystal, the molecules are linked by N-H?N hydrogen bonds to result in chains.

SUBMITTER: Xi HM

PROVIDER: S-EPMC2959488 | biostudies-literature | 2008 Sep

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

2-Phenyl-1H-1,3,7,8-tetra-azacyclo-penta-[l]phenanthrene.

Xi Hong-Min HM

Acta crystallographica. Section E, Structure reports online 20080920 Pt 10

There are two molecules in the asymmetric unit of the title compound, C(19)H(12)N(4). One is almost planar [dihedral angle between the fused-ring system and the phenyl ring = 2.16 (13)°] and one is somewhat twisted [dihedral angle = 13.30 (14)°]. In the crystal, the molecules are linked by N-H⋯N hydrogen bonds to result in chains. ...[more]

PMID: 21201181

Similar Datasets

2-Phenyl-1H-1,3,7,8-tetra-azacyclo-penta-[l]phenanthrene.

Project description:There are two mol-ecules in the asymmetric unit of the title compound, C(19)H(12)N(4), with dihedral angles of 2.41 (10) and 10.53 (12)° between the fused ring system and the pendant phenyl ring. In the crystal, mol-ecules are linked into chains by N-H⋯N hydrogen bonds and aromatic π-π stacking inter-actions [shortest centroid-centroid distance = 3.6176 (16) Å] complete the structure.

| S-EPMC2969696 | biostudies-literature

Bis(?-3,5-dinitro-2-oxidobenzoato)-?O,O:O;?O:O,O-bis[aqua-(2-phenyl-1,3,7,8-tetra-azacyclo-penta-[l]phenanthrene-?N,N)cobalt(II)].

Project description:In the title compound, [Co(2)(C(7)H(2)N(2)O(7))(2)(C(19)H(12)N(4))(2)(H(2)O)(2)], the Co(II) atom is six-coordinated by two N atoms from a 2-phenyl-1H-1,3,7,8,-tetraaza-cyclo-penta-[l]phenanthrene (L) ligand, three O atoms from two 3,5-dinitro-2-oxidobenzoate (3,5-dinitro-salicylate or DNSA) ligands and one O atom from a water mol-ecule in a distorted octa-hedral geometry. The Co(II) atoms are bridged by two carboxyl-ate O atoms from two DNSA ligands, forming a centrosymmetric dinuclear structure. Neighbouring dinuclear units inter-act with each other through two types of ?-? inter-actions between the L ligands [shortest centroid-centroid distance = 3.646?(3)?Å] and between the L and DNSA ligands [shortest atom-to-centroid distance = 3.794?(3)?Å]. N-H?O, O-H?N and O-H?O hydrogen bonds are observed, which lead to a three-dimensional structure.

| S-EPMC3006703 | biostudies-literature

Poly[di-μ(5)-adipato-κO:O':O'':O''',O'''-μ(4)-adipato-κO:O':O'':O'''-bis-[2-phenyl-1H-1,3,7,8-tetra-azacyclo-penta-[l]phenanthrene-κN,N]tricobalt(II)].

Project description:In the title polymer, [Co(3)(C(6)H(8)O(4))(3)(C(19)H(12)N(4))(2)](n), two adipate dianions (C(6)H(8)O(4) (2-)) occupy general positions and two are situated on different inversion centres. The two on general positions bind through their four O atoms to five 2-phenyl-1H-1,3,7,8-tetra-azacyclo-penta-[l]phenanthrene-chelated Co(II) ions, whereas the two on special positions bind to only four. Of the three Co atoms, two are chelated by N-heterocycles; the third is bonded to six O atoms. The bonding mode of the dianion gives rise to a three-dimensional network structure; the network is further consolidated by N-H⋯O hydrogen bonds.

| S-EPMC2961260 | biostudies-literature

Aqua-(2-hydr-oxy-5-sulfonatobenzoato-?O)bis-(2-phenyl-1H-1,3,7,8-tetra-aza-cyclo-penta-[l]phenanthrene-?N,N)zinc(II).

Project description:In the title compound, [Zn(C(7)H(4)O(6)S)(C(19)H(12)N(4))(2)(H(2)O)], the Zn(II) ion is coordinated by two N,N'-bidentate 2-phenyl-1H-1,3,7,8-tetra-azacyclo-penta-[l]phenanthrene ligands, one O-monodentate 5-sulfosalicylate dianion and a water mol-ecule. This results in a distorted cis-ZnO(2)N(4) octa-hedral coordination geometry for the metal ion. In the crystal, mol-ecules are expanded into a three-dimensional supra-molecular motif via O-H?O, O-H?N and N-H?(O,S) hydrogen bonds. In addition, ?-? stacking inter-actions between the aromatic rings of the polycyclic ligands consolidate the sturcture [shortest centroid-centroid distance = 3.501?(2)?Å].

| S-EPMC2971279 | biostudies-literature

catena-Poly[[[bis-[4-(1H-1,3,7,8-tetra-azacyclo-penta-[l]phenanthren-2-yl)-phenol-κN,N]lead(II)]-μ-4,4'-oxy-dibenzoato-κO,O':O''] dihydrate].

Project description:The carboxyl-ate dianion in the title compound, [Pb(C(14)H(8)O(5))(C(19)H(12)N(4)O)(2)]·2H(2)O, uses one carboxyl-ate group to O,O'-chelate a bis-[4-(1H-1,3,7,8-tetra-azacyclo-penta-[l]phen-anthren-2-yl)phenol]-chelated Pb(II) atom and uses its other carboxyl-ate group to bind to another Pb(II) atom in an irregular monodentate manner. The Pb(II) atom exists in an undefined seven-coordinate geometry in the chain structure; the lone pair is stereochemically active. Adjacent chains are linked by inter-molecular O-H⋯N, N-H⋯O and O-H⋯O hydrogen bonds that involve the uncoordinated water mol-ecules to form a three-dimensional network.

| S-EPMC2961154 | biostudies-literature

Bis(?-5-carb-oxy-benzene-1,3-dicarboxyl-ato)-?O,O:O;?O:O,O-bis-[(2-phenyl-1,3,7,8-tetra-aza-cyclo-penta-[l]phenanthrene-?N,N)lead(II)].

Project description:In the title compound, [Pb(2)(C(9)H(4)O(6))(2)(C(19)H(12)N(4))(2)], the Pb(II) atom is five-coordinated by two N atoms from a chelating 2-phenyl-1H-1,3,7,8-tetra-aza-cyclo-penta-[l]phenanthrene (L) ligand and three O atoms from two Hbtc ligands (H(3)btc is benzene-1,3,5-tricarb-oxy-lic acid), resulting in a distorted PbN(2)O(3) coordination. Two Pb(II) atoms are bridged by the Hbtc ligands, forming a discrete centrosymmetric dinuclear complex. Inter-molecular N-H?O and O-H?O hydrogen bonds and ?-? inter-actions between the pyridine and imidazole rings, and between the pyridyl rings of the L ligands [centroid-centroid distances = 3.600?(6) and 3.732?(6)?Å] lead to a three-dimensional supra-molecular structure.

| S-EPMC3011518 | biostudies-literature

catena-Poly[[[bis-[4-(1H-1,3,7,8-tetra-azacyclo-penta-[l]phenanthren-2-yl)phenol-κN,N]manganese(II)]-μ-naphthalene-1,4-dicarboxyl-ato-κO:O] naphthalene-1,4-dicarboxylic acid hemisolvate monohydrate].

Project description:The 1,4-dicarboxyl-ate dianions in the title compound, [Mn(C(12)H(6)O(4))(C(19)H(12)N(4)O)(2)]·0.5C(12)H(8)O(4)·H(2)O, bond to two 4-(1H-1,3,7,8-tetra-azacyclo-penta-[l]phenanthren-2-yl)phenol-chelated Mn atoms to form a chain that features the metal atom in an octa-hedral coordination geometry. Adjacent chains inter-act with the uncoordinated water mol-ecules to form a three-dimensional network. The naphthalene-1,4-dicarboxylic acid solvent mol-ecule, which is disordered about a centre of inversion, occupies the space within the network but is not bonded to the network. One NH group is disordered equally over two positions.

| S-EPMC2961106 | biostudies-literature

Poly[[(μ-benzene-1,4-dicarboxyl-ato)bis-[μ-4-(1H-1,3,7,8-tetra-aza-cyclo-penta-[l]phenanthren-2-yl)benzoato]dizinc] tetra-hydrate].

Project description:In the title complex, [Zn(2)(C(8)H(4)O(4))(C(20)H(11)N(4)O(2))(2)]·4H(2)O, the Zn(II) atom is six-coordinated by two carboxyl-ate O atoms from one bidentate benzene-1,4-dicarboxyl-ate (1,4-BDC) ligand, two carboxyl-ate O atoms from two different monodentate 4-(1H-1,3,7,8-tetra-aza-cyclo-penta-[l]phenanthren-2-yl)benzoate (HNCP) ligands and two HNCP N atoms. The Zn(II) atoms are bridged by the centrosymmetric 1,4-BDC ligands, forming an extended single-chain structure. Neighbouring single chains are connected by the HNCP ligands from two opposite directions, resulting in a sheet. In addition, there are N-H⋯O hydrogen-bonding inter-actions between adjacent layers. As a result, the polymeric sheets are further extended into a three-dimensional supra-molecular structure.

| S-EPMC3246926 | biostudies-literature

Dipropyl 4,8-dioxo-1H,5H-2,6-dioxa-3a,4a,7a,8a-tetra-azacyclo-penta-[def]fluorene-8b,8c-dicarboxyl-ate.

Project description:The title compound, C(16)H(22)N(4)O(8), is a glycoluril derivative with two propoxycarbonyl substituents on the convex face of the glycoluril system. The dihedral angle between the five-membered rings in the glycoluril unit is 72.70 (2)°. The oxadiazinane six-membered ring displays a normal chair conformation. One of the propyl groups is disordered over two positions with site occupancies of 0.557 (7) and 0.443 (7). Inter-molecular C-H⋯O hydrogen bonds are effective in the stabilization of the crystal structure.

| S-EPMC2915321 | biostudies-literature

1,2,4,5-Tetra-phenyl-1H-imidazole.

Project description:The asymmetric unit of the title compound, C(27)H(20)N(2), contains two independent mol-ecules, A and B. In both mol-ecules, the N atom in the 1-position and the C atom in the 5-position are statistically disordered [as 0.571?(8):0.429?(8) in A and 0.736?(9):0.264?(9) in B]. The phenyl rings in the 1-, 2-, 4- and 5-positions in A are twisted from the central imidazole ring by 84.3?(2), 21.6?(2), 21.5?(2) and 75.7?(2)°, respectively. The corresponding dihedral angles in B are 85.5?(2), 3.8?(2), 2.4?(2) and 81.7?(2)°, respectively.

| S-EPMC3275280 | 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