2,7-Dichloro-3-O-methylnorlichexanthone
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| Category | Others |
| Catalog number | BBF-05269 |
| CAS | 68048-36-2 |
| Molecular Weight | 341.14 |
| Molecular Formula | C15H10Cl2O5 |
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Description
It is produced by the strain of Lecanora sp, L.salina and L.behringii.
Specification
| Synonyms | 2,7-dichloro-1,6-dihydroxy-3-methoxy-8-methylxanthen-9-one; 9H-Xanthen-9-one, 2,7-dichloro-1,6-dihydroxy-3-methoxy-8-methyl- |
| IUPAC Name | 2,7-dichloro-1,6-dihydroxy-3-methoxy-8-methyl-9H-xanthen-9-one |
| Canonical SMILES | CC1=C(C(=CC2=C1C(=O)C3=C(C(=C(C=C3O2)OC)Cl)O)O)Cl |
| InChI | InChI=1S/C15H10Cl2O5/c1-5-10-7(3-6(18)12(5)16)22-8-4-9(21-2)13(17)15(20)11(8)14(10)19/h3-4,18,20H,1-2H3 |
| InChI Key | FZWHLSOXJRMGEZ-UHFFFAOYSA-N |
Properties
| Boiling Point | 575.7±50.0°C at 760 mmHg |
| Density | 1.6±0.1 g/cm3 |
Reference Reading
1. Crystal structures of three copper(II)-2,2'-bi-pyridine (bpy) compounds, [Cu(bpy)2(H2O)][SiF6]·4H2O, [Cu(bpy)2(TaF6)2] and [Cu(bpy)3][TaF6]2 and a related coordination polymer, [Cu(bpy)(H2O)2SnF6] n
Matthew L Nisbet, Emily Hiralal, Kenneth R Poeppelmeier Acta Crystallogr E Crystallogr Commun. 2021 Jan 26;77(Pt 2):158-164. doi: 10.1107/S2056989021000633. eCollection 2021 Feb 1.
We report the hydro-thermal syntheses and crystal structures of aqua-bis-(2,2'-bi-pyridine-κ2 N,N')copper(II) hexa-fluorido-silicate tetra-hydrate, [Cu(bpy)2(H2O)][SiF6]·4H2O (bpy is 2,2'-bi-pyridine, C10H8N2), (I), bis-(2,2'-bi-pyridine-3κ2 N,N')-di-μ-fluorido-1:3κ2 F:F;2:3κ2 F:F-deca-fluorido-1κ5 F,2κ5 F-ditantalum(V)copper(II), [Cu(bpy)2(TaF6)2], (II), tris-(2,2'-bi-pyridine-κ2 N,N')copper(II) bis[hexa-fluorido-tantalate(V)], [Cu(bpy)3][TaF6]2, (III), and catena-poly[[di-aqua-(2,2'-bi-pyridine-κ2 N,N')copper(II)]-μ-fluorido-tetra-fluorido-tin-μ-fluorido], [Cu(bpy)(H2O)2SnF6] n , (IV). Compounds (I), (II) and (III) contain locally chiral copper coordination complexes with C 2, D 2, and D 3 symmetry, respectively. The extended structures of (I) and (IV) are consolidated by O-H⋯F and O-H⋯O hydrogen bonds. The structure of (III) was found to be a merohedral (racemic) twin.
2. 2,5-Bis(1,3-dithiol-2-yl-idene)-1,3-dithiol-ane-4-thione
Kazumasa Ueda, Kenta Suzuki, Kei Kunimoto, Kenji Yoza Acta Crystallogr Sect E Struct Rep Online. 2012 Jan;68(Pt 1):o52. doi: 10.1107/S1600536811051518. Epub 2011 Dec 10.
The asymmetric unit of the title compound, C(9)H(4)S(7), contains two independent mol-ecules, in one of which the central five-membered ring is disordered over two orientations in a 0.924 (3):0.076 (3) ratio. The mol-ecular skeleton is almost planar: the average distance of the atoms from their mean plane is 0.128 (7) Å in the ordered mol-ecule, and 0.088 (5) and 0.123 (2) Å in the major and minor disorder components, respectively. The ordered and disordered mol-ecules form separate columns by stacking along the b axis. Adjacent columns inter-act via short S⋯S [3.33 (2), 3.434 (3), 3.444 (2), 3.503 (2), 3.519 (3) and 3.53 (4) Å] and S⋯H [2.814 (2), 2.87 (7), 2.92 (2), 2.9269 (18), 2.93 (2), 2.94 (2), 2.939 (2), 2.967 (2) and 2.974 (1) Å] contacts.
3. 2-(3,4-Dichloro-phen-yl)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)acetamide
Aneeka Mahan, Ray J Butcher, Prakash S Nayak, B Narayana, H S Yathirajan Acta Crystallogr Sect E Struct Rep Online. 2013 Mar 1;69(Pt 3):o402-3. doi: 10.1107/S1600536813002341. Epub 2013 Feb 20.
In the title compound, C19H17Cl2N3O2, there are three mol-ecules (A, B and C) in the asymmetric unit and each differs in the conformation adopted. As a result of steric repulsion, the amide group is rotated with respect to both the dichloro-phenyl and 2,3-dihydro-1H-pyrazol-4-yl rings, making dihedral angles of 44.5 (2) and 56.2 (2)°, respectively in A, 51.1 (2) and 54.1 (2)° in B, and 53.8 (2) and 54.6 (2)° in C. The dihedral angles between the dichloro-phenyl and 2,3-dihydro-1H-pyrazol-4-yl rings are 54.8 (2), 76.2 (2) and 77.5 (2)° in mol-ecules A, B and C, respectively, while the 2,3-dihydro-1H-pyrazol-4-yl and phenyl rings make dihedral angles of 45.3 (2), 51.2 (2) and 42.8 (2)°, respectively. In the crystal, two of the mol-ecules are linked through N-H⋯O hydrogen bonding to an adjoining mol-ecule, forming dimers of the R2(2)(10) type, while the third mol-ecule forms such dimers with itself. C-H⋯O inter-actions link the dimers.
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Bio Calculators
* Our calculator is based on the following equation:
Concentration (start) x Volume (start) = Concentration (final) x Volume (final)
It is commonly abbreviated as: C1V1 = C2V2
* Total Molecular Weight:
g/mol
Tip: Chemical formula is case sensitive. C22H30N4O √ c22h30n40 ╳
