1 Ocak 2017 Dergi makalesi Açık Erişim

Gundogdu, Gulsum; Aytac, Sevim Peri; Mueller, Melanie; Tozkoparan, Birsen; Kaynak, Filiz Betul

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  <identifier identifierType="URL">https://aperta.ulakbim.gov.tr/record/52125</identifier>
  <creators>
    <creator>
      <creatorName>Gundogdu, Gulsum</creatorName>
      <givenName>Gulsum</givenName>
      <familyName>Gundogdu</familyName>
      <affiliation>Hacettepe Univ, Dept Phys Engn, Fac Engn, TR-06800 Ankara, Turkey</affiliation>
    </creator>
    <creator>
      <creatorName>Aytac, Sevim Peri</creatorName>
      <givenName>Sevim Peri</givenName>
      <familyName>Aytac</familyName>
      <affiliation>Hacettepe Univ, Dept Pharmaceut Chem, Fac Pharm, TR-06100 Ankara, Turkey</affiliation>
    </creator>
    <creator>
      <creatorName>Mueller, Melanie</creatorName>
      <givenName>Melanie</givenName>
      <familyName>Mueller</familyName>
      <affiliation>Ruhr Univ Bochum, Inst Geol Mineral &amp; Geophys, Dept Crystallog, D-44780 Bochum, Germany</affiliation>
    </creator>
    <creator>
      <creatorName>Tozkoparan, Birsen</creatorName>
      <givenName>Birsen</givenName>
      <familyName>Tozkoparan</familyName>
      <affiliation>Hacettepe Univ, Dept Pharmaceut Chem, Fac Pharm, TR-06100 Ankara, Turkey</affiliation>
    </creator>
    <creator>
      <creatorName>Kaynak, Filiz Betul</creatorName>
      <givenName>Filiz Betul</givenName>
      <familyName>Kaynak</familyName>
      <affiliation>Hacettepe Univ, Dept Phys Engn, Fac Engn, TR-06800 Ankara, Turkey</affiliation>
    </creator>
  </creators>
  <titles>
    <title>Structure Elucidation Of 3-[1-(6-Methoxy-2-Naphtyl)Ethyl]-6-(2,4-Dichlorophenyl)-7H-1,2,4-Triazolo[3,4-B]-1,3,4-Thiadiazine, C23H18Cl2N4Os From Synchrotron X-Ray Powder Diffraction</title>
  </titles>
  <publisher>Aperta</publisher>
  <publicationYear>2017</publicationYear>
  <dates>
    <date dateType="Issued">2017-01-01</date>
  </dates>
  <resourceType resourceTypeGeneral="Text">Journal article</resourceType>
  <alternateIdentifiers>
    <alternateIdentifier alternateIdentifierType="url">https://aperta.ulakbim.gov.tr/record/52125</alternateIdentifier>
  </alternateIdentifiers>
  <relatedIdentifiers>
    <relatedIdentifier relatedIdentifierType="DOI" relationType="IsIdenticalTo">10.1017/S0885715617001099</relatedIdentifier>
  </relatedIdentifiers>
  <rightsList>
    <rights rightsURI="http://www.opendefinition.org/licenses/cc-by">Creative Commons Attribution</rights>
    <rights rightsURI="info:eu-repo/semantics/openAccess">Open Access</rights>
  </rightsList>
  <descriptions>
    <description descriptionType="Abstract">The 3-[1-(6-methoxy-2-naphtyl)ethyl]-6-(2,4-dichlorophenyl)-7H-1,2,4-triazolo[3,4-b]-1,3,4-thiadiazine, C23H18Cl2N4OS compound was synthesized, as a member of the family of novel potential anticancer agents. The structure of the title compound was characterized by IR, H-1-NMR, mass spectroscopy, and elemental analysis, previously. In this study, the crystal structure of this compound has been determined from synchrotron X-ray powder diffraction data. The crystal structure was solved by simulated annealing and the final structure was achieved by Rietveld refinement method using soft restrains on all interatomic bond lengths and angles. This compound crystallizes in space group P21, Z = 2, with the unit-cell parameters a = 15.55645(11) angstrom, b = 8.61693(6) angstrom, c = 8.56702(6) angstrom, beta = 104.3270(4)degrees, and V = 1112.68(1) angstrom(3). In the crystal structure, strong C-H and weak intermolecular hydrogen-bonding interactions link the molecules into a three-dimensional network. The molecules are in a head-to-head arrangement in the unit cell.</description>
  </descriptions>
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