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  1. 4461
    “…The crystal structures of isomeric rac-2-(4-nitro­phen­yl)-3-phenyl-2,3,5,6-tetra­hydro-4H-1,3-thia­zin-4-one (C(16)H(14)N(2)O(3)S) (1) and (2S)-2-(3-nitro­phen­yl)-3-phenyl-2,3,5,6-tetra­hydro-4H-1,3-thia­zin-4-one (C(16)H(14)N(2)O(3)S) (2) are reported here. …”
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    Online Artículo Texto
    Spontaneous resolution and crystal structure of (2S)-2-(3-nitro­phen­yl)-3-phenyl-2,3,5,6-tetra­hydro-4H-1,3-thia­zin-4-one; crystal structure of rac-2-(4-nitro­phen­yl)-3-phenyl-2,3,5,6-tetra­hydro-4H-1,3-thia­zin-4-one
  2. 4462
    “…A Hirshfeld surface analysis indicates that the most significant contributions to the crystal packing are from H⋯H (44.3%), C⋯H/H⋯C (29.8%) and O⋯H/H⋯O (15.0%) contacts.…”
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    Crystal structure and Hirshfeld surface analysis of (3S,3aR,6aS)-3-(1,3-diphenyl-1H-pyrazol-4-yl)-5-(4-meth­oxy­phen­yl)-2-phenyl-3,3a,4,5,6,6a-hexa­hydro-2H-pyrrolo­[3,4-d][1,2]oxazole-4,6-dione
  3. 4463
    “…[Image: see text] This paper reports the simulation and optimization of heterojunction perovskite solar cells (PSCs) with a proposed structure of TiO(2)/i-CH(3)NH(3)SnBr(3)/CsPbI(3)/Al(BSF) using SCAPS-1D software. …”
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    Optimization and Performance Analysis of a TiO(2)/i-CH(3)NH(3)SnBr(3)/CsPbI(3)/Al(BSF) Heterojunction Perovskite Solar Cell for Enhanced Efficiency
  4. 4464
    “…In the title compound, C(9)H(13)ClN(6)O(2)S, all bond lengths and angles are normal. The 1,3,5-triazine ring exhibits a half-chair conformation. …”
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    1-(2-Chloro-1,3-thia­zol-5-ylmeth­yl)-3,5-dimethyl-2-nitrimino-1,2,3,4,5,6-hexa­hydro-1,3,5-triazine
  5. 4465
    “…In the title compound, C(20)H(21)N(3)OS(2), the piperidinyl ring has a distorted chair conformation. …”
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    3-Phenyl-2-(piperidin-1-yl)-3,5,6,8-tetra­hydro-4H-thio­pyrano[3′,4′:2,3]thieno[5,4-d]pyrimidin-4-one
  6. 4466
    “…The crystal structure is sustained mainly by inter­molecular π–π inter­actions (3.510 Å) between the two fluorene rings and some C—H⋯π inter­actions.…”
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    (E)-N-[2-(9-Fluorenyl­idene)-3a,5,7-tri­methyl-3,3a-dihydro-2H-indol-3-yl­idene]-2,4,6-trimethyl­aniline
  7. 4467
    “…The crystal structure of the title compound, C(17)H(16)N(2)O(3)S, exhibits intra­molecular C—H⋯S and inter­molecular C—H⋯S and C—H⋯O hydrogen bonds, C—S⋯N [S⋯N = 3.033 (2) Å and C—S⋯N = 142.76 (9)°] inter­actions, and C—H⋯π inter­actions; these inter­actions generate S(4), S(6) and R (2) (2)(14) ring motifs. …”
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    (3R,3aS,6aR)-2,5-Dimethyl-3-(5-phenyl-2-thien­yl)perhydro­pyrrolo[3,4-d][1,2]oxazole-4,6-dione
  8. 4468
    “…The crystal structure of the title compound, C(26)H(25)NO(3), was determined as part of an investigation of host–guest and electron donor–acceptor complexes. …”
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    2(4),4,8-Trioxa-2(1)-aza-1,3,6(1,2)-tri­benzena-2(2,3)-bicyclo­[3.3.0]octa­na­cyclo­octa­phane
  9. 4469
    “…A new lanthanum(III)–copper(I) heterometallic coordination polymer, [Cu(7)La(3)Br(6)(C(6)H(4)NO(2))(8)(C(8)H(4)O(4))(H(2)O)(4)](n), has been prepared by a hydro­thermal method. …”
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    Poly[tetra­aqua-μ(3)-benzene-1,2-di­carboxyl­ato-μ(3)-bromido-penta-μ(2)-bromido-octa-μ(3)-isonicotinato-hepta­copper(I)trilanthanum(III)]
  10. 4470
    “…The title compound, C(15)H(13)N(3)O(8), comprises two crystallographically independent mol­ecules in the asymmetric unit. …”
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    (1RS,4RS,5RS)-Methyl 2-(3,5-dinitro­benzo­yl)-2-oxa-3-aza­bicyclo­[3.3.0]oct-7-ene-4-carboxyl­ate
  11. 4471
    “…In the title compound, {[Cu(C(6)H(2)N(2)O(4))(C(3)H(7)NO)]·H(2)O}(n), the Cu(II) atom is coordinated by an N,O-bidentate pyrazine-2,3-dicarboxyl­ate (pzdc) dianion, two O atoms from two other pzdc anions and one O atom from the dimethlyformamide ligand, forming a distorted square-pyramidal CuNO(4) geometry. …”
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    Poly[[(N,N-dimethyl­formamide-κO)(μ(3)-pyrazine-2,3-dicarboxyl­ato-κ(4) N (1),O(2):O (3):O (3))copper(II)] monohydrate]
  12. 4472
    “…The asymmetric unit of the title compound, (C(11)H(15)N(4)O(4))[FeCl(4)], contains two independent protonated 7-(1,3-dioxolan-2-ylmeth­yl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione (doxofyllinium) and two tetrahedral tetra­chlorido­ferrate(III) anions. …”
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    7-(1,3-Dioxolan-2-ylmethyl)-1,3-di­methyl-2,6-dioxo-2,3,6,7-tetra­hydro-1H-purin-9-ium tetra­chloridoferrate(III)
  13. 4473
    “…In the title triazolothia­diazine derivative, C(20)H(16)N(6)O(3)S {systematic name: 3-(4-methyl­phen­yl)-4-[3-(phen­oxy­meth­yl)-7H-1,2,4-triazolo[3,4-b][1,3,4]thia­diazin-6-yl]-1,2,3-oxadiazol-3-ium-5-olate}, an S(6) ring motif is generated by an intra­molecular C—H⋯O hydrogen bond. …”
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    4-[3-(Phen­oxy­meth­yl)-7H-1,2,4-triazolo[3,4-b][1,3,4]thia­diazin-6-yl]-3-(p-tol­yl)sydnone
  14. 4474
    “…Additional O—H⋯O hydrogen bonds between the water mol­ecules, the free and coordinated boric acid mol­ecules and the fumarate anion lead to the formation of a three-dimensional supra­molecular structure. With the exception of the two water mol­ecules, all other atoms lie on mirror planes.…”
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    A novel inorganic–organic hybrid borate, poly{[Na(2)(C(4)H(2)O(4))(H(3)BO(3))(H(2)O)(4)]·H(3)BO(3)}
  15. 4475
    “…The two La(III) metal ions are linked by two bidentate bridging carboxyl­ate groups with a κ(2) O:O′ coordination mode and two bidentate chelating bridging carboxyl­ate groups with a κ(3) O:O,O′ coordination mode. …”
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    Tetra­kis(μ-3-aza­niumylbenzoato)-κ(3) O:O,O′;κ(3) O,O′:O;κ(4) O:O′-bis­[triaqua­chloridolanthanum(III)] tetra­chloride dihydrate
  16. 4476
    “…In the title compound, C(20)H(17)N(7)O(2)S (systematic name: 3-(4-methyl­phen­yl)-4-{3-[(phenyl­amino)­meth­yl]-7H-1,2,4-triazolo[3,4-b][1,3,4]thia­diazin-6-yl}-1,2,3-oxadiazol-3-ium-5-olate), the 3,6-dihydro-2H-1,3,4-thia­diazine ring adopts a half-boat conformation. …”
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    3-(p-Tol­yl)-4-{3-[(phenyl­amino)­meth­yl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thia­diazin-6-yl}sydnone
  17. 4477
    por Liang, Xizhen, Zhou, Yueming
    Publicado 2011
    “…In the title compound, C(27)H(33)N(3)OS(2), the dihedral angle between the two fused rings of the thieno[3,2-d]pyrimidine system is 3.73 (9)°. …”
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    2-Dicyclo­hexyl­amino-3-phenyl-5,6-di­hydro-8H-thio­pyrano[4′,3′:4,5]thieno[2,3-d]pyrimidin-4(3H)-one
  18. 4478
    “…The distance between the two reactive C atoms is 3.497 (3) Å. In the crystal, two mol­ecules are associated through a pair of C—H⋯F inter­molecular hydrogen bonds, forming a centrosymmetric dimer. …”
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    1,2-Bis[5-(9-ethyl-9H-carbazol-3-yl)-2-methyl­thio­phen-3-yl]-3,3,4,4,5,5-hexa­fluoro­cyclo­pentene
  19. 4479
    “…In the title compound, C(25)H(21)F(2)N(3)O(3)S, the morpholine ring adopts a chair conformation. …”
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    5-(4,4′′-Difluoro-5′-hy­droxy-1,1′:3′,1′′-terphenyl-4′-yl)-3-(morpholin-4-ylmeth­yl)-1,3,4-oxadiazole-2(3H)-thione
  20. 4480
    “…In the crystal, N—H⋯O hydrogen bonds link mol­ecules into chains along [001], and weak C—H⋯N hydrogen bonds and π–π inter­actions between the five- and six-membered rings [centroid–centroid distances = 3.5074 (11) and 3.616 (1) Å] consolidate the crystal packing.…”
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    3-({4-[(2-Methyl­benzyl­idene)amino]-5-sulfanyl­idene-1H-1,2,4-triazol-3-yl}meth­yl)-1,3-benzoxazol-2(3H)-one
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