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

ABSTRACT: 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 ?-? stacking inter-actions [shortest centroid-centroid distance = 3.6176?(16)?Å] complete the structure.

SUBMITTER: Liu DM

PROVIDER: S-EPMC2969696 | biostudies-literature | 2009 May

REPOSITORIES: biostudies-literature

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

Liu Dong-Ming DM Li Xiu-Ying XY Wang Xiang-Cheng XC Li Chun-Xiang CX Liu Chun-Bo CB

Acta crystallographica. Section E, Structure reports online 20090520 Pt 6

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. ...[more]

PMID: 21583165

Similar Datasets

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

Project description: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.

| S-EPMC2959488 | biostudies-literature

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

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

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

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-?N,N]manganese(II)]-?-naphthalene-1,4-dicarboxyl-ato-?O: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

catena-Poly[[[bis-[4-(1H-1,3,7,8-tetra-azacyclo-penta-[l]phenanthren-2-yl)-phenol-?N,N]lead(II)]-?-4,4'-oxy-dibenzoato-?O,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-other

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

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