Structural analysis of 2-iodo-benzamide and 2-iodo-N-phenyl-benzamide.
Identifieur interne : 000810 ( PubMed/Curation ); précédent : 000809; suivant : 000811Structural analysis of 2-iodo-benzamide and 2-iodo-N-phenyl-benzamide.
Auteurs : Keshab M. Bairagi [Inde] ; Vipin B S. Kumar [Inde] ; Subhrajyoti Bhandary [Inde] ; Katharigatta N. Venugopala [Afrique du Sud] ; Susanta K. Nayak [Inde]Source :
- Acta crystallographica. Section E, Crystallographic communications [ 2056-9890 ] ; 2018.
Abstract
The title compounds, 2-iodo-benzamide, C7H6INO (I), and 2-iodo-N-phenyl-benzamide, C13H10INO (II), were both synthesized from 2-iodo-benzoic acid. In the crystal structure of (I), N-H⋯O and hydrogen bonds form two sets of closed rings, generating dimers and tetra-mers. These combine with C-I⋯π(ring) halogen bonds to form sheets of mol-ecules in the bc plane. For (II), N-H⋯O hydrogen bonds form chains along the a-axis direction, while inversion-related C-I⋯π(ring) contacts supported by C-H⋯π(ring) interactions generate sheets of mol-ecules along the ab diagonal.
DOI: 10.1107/S2056989018010162
PubMed: 30116577
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Bairagi</name><affiliation wicri:level="1"><nlm:affiliation>Department of Chemistry, Visvesvaraya National Institute of Technology, Nagpur 440 010, Maharashtra, India.</nlm:affiliation><country xml:lang="fr">Inde</country><wicri:regionArea>Department of Chemistry, Visvesvaraya National Institute of Technology, Nagpur 440 010, Maharashtra</wicri:regionArea></affiliation></author><author><name sortKey="Kumar, Vipin B S" sort="Kumar, Vipin B S" uniqKey="Kumar V" first="Vipin B S" last="Kumar">Vipin B S. Kumar</name><affiliation wicri:level="1"><nlm:affiliation>Department of Chemistry, Visvesvaraya National Institute of Technology, Nagpur 440 010, Maharashtra, India.</nlm:affiliation><country xml:lang="fr">Inde</country><wicri:regionArea>Department of Chemistry, Visvesvaraya National Institute of Technology, Nagpur 440 010, Maharashtra</wicri:regionArea></affiliation></author><author><name sortKey="Bhandary, Subhrajyoti" sort="Bhandary, Subhrajyoti" uniqKey="Bhandary S" first="Subhrajyoti" last="Bhandary">Subhrajyoti Bhandary</name><affiliation wicri:level="1"><nlm:affiliation>Department of Chemistry, Indian Institute of Science Education and Research Bhopal, Bhauri, Bhopal 462 066, Madhya Pradesh, India.</nlm:affiliation><country xml:lang="fr">Inde</country><wicri:regionArea>Department of Chemistry, Indian Institute of Science Education and Research Bhopal, Bhauri, Bhopal 462 066, Madhya Pradesh</wicri:regionArea></affiliation></author><author><name sortKey="Venugopala, Katharigatta N" sort="Venugopala, Katharigatta N" uniqKey="Venugopala K" first="Katharigatta N" last="Venugopala">Katharigatta N. Venugopala</name><affiliation wicri:level="1"><nlm:affiliation>Department of Biotechnology and Food Technology, Durban University of Technology, Durban 4001, South Africa.</nlm:affiliation><country xml:lang="fr">Afrique du Sud</country><wicri:regionArea>Department of Biotechnology and Food Technology, Durban University of Technology, Durban 4001</wicri:regionArea></affiliation></author><author><name sortKey="Nayak, Susanta K" sort="Nayak, Susanta K" uniqKey="Nayak S" first="Susanta K" last="Nayak">Susanta K. Nayak</name><affiliation wicri:level="1"><nlm:affiliation>Department of Chemistry, Visvesvaraya National Institute of Technology, Nagpur 440 010, Maharashtra, India.</nlm:affiliation><country xml:lang="fr">Inde</country><wicri:regionArea>Department of Chemistry, Visvesvaraya National Institute of Technology, Nagpur 440 010, Maharashtra</wicri:regionArea></affiliation></author></analytic><series><title level="j">Acta crystallographica. Section E, Crystallographic communications</title><idno type="ISSN">2056-9890</idno><imprint><date when="2018" type="published">2018</date></imprint></series></biblStruct></sourceDesc></fileDesc><profileDesc><textClass></textClass></profileDesc></teiHeader><front><div type="abstract" xml:lang="en">The title compounds, 2-iodo-benzamide, C<sub>7</sub>H<sub>6</sub>INO (I), and 2-iodo-<i>N</i>-phenyl-benzamide, C<sub>13</sub>H<sub>10</sub>INO (II), were both synthesized from 2-iodo-benzoic acid. In the crystal structure of (I), N-H⋯O and hydrogen bonds form two sets of closed rings, generating dimers and tetra-mers. These combine with C-I⋯π(ring) halogen bonds to form sheets of mol-ecules in the <i>bc</i> plane. For (II), N-H⋯O hydrogen bonds form chains along the <i>a</i>-axis direction, while inversion-related C-I⋯π(ring) contacts supported by C-H⋯π(ring) interactions generate sheets of mol-ecules along the <i>ab</i> diagonal.</div></front></TEI><pubmed><MedlineCitation Status="PubMed-not-MEDLINE" Owner="NLM"><PMID Version="1">30116577</PMID><DateRevised><Year>2019</Year><Month>11</Month><Day>20</Day></DateRevised><Article PubModel="Electronic-eCollection"><Journal><ISSN IssnType="Print">2056-9890</ISSN><JournalIssue CitedMedium="Print"><Volume>74</Volume><Issue>Pt 8</Issue><PubDate><Year>2018</Year><Month>Aug</Month><Day>01</Day></PubDate></JournalIssue><Title>Acta crystallographica. Section E, Crystallographic communications</Title><ISOAbbreviation>Acta Crystallogr E Crystallogr Commun</ISOAbbreviation></Journal><ArticleTitle>Structural analysis of 2-iodo-benzamide and 2-iodo-<i>N</i>-phenyl-benzamide.</ArticleTitle><Pagination><MedlinePgn>1130-1133</MedlinePgn></Pagination><ELocationID EIdType="doi" ValidYN="Y">10.1107/S2056989018010162</ELocationID><Abstract><AbstractText>The title compounds, 2-iodo-benzamide, C<sub>7</sub>H<sub>6</sub>INO (I), and 2-iodo-<i>N</i>-phenyl-benzamide, C<sub>13</sub>H<sub>10</sub>INO (II), were both synthesized from 2-iodo-benzoic acid. In the crystal structure of (I), N-H⋯O and hydrogen bonds form two sets of closed rings, generating dimers and tetra-mers. These combine with C-I⋯π(ring) halogen bonds to form sheets of mol-ecules in the <i>bc</i> plane. For (II), N-H⋯O hydrogen bonds form chains along the <i>a</i>-axis direction, while inversion-related C-I⋯π(ring) contacts supported by C-H⋯π(ring) interactions generate sheets of mol-ecules along the <i>ab</i> diagonal.</AbstractText></Abstract><AuthorList CompleteYN="Y"><Author ValidYN="Y"><LastName>Bairagi</LastName><ForeName>Keshab M</ForeName><Initials>KM</Initials><Identifier Source="ORCID">https://orcid.org/0000-0002-7996-9601</Identifier><AffiliationInfo><Affiliation>Department of Chemistry, Visvesvaraya National Institute of Technology, Nagpur 440 010, Maharashtra, India.</Affiliation></AffiliationInfo></Author><Author ValidYN="Y"><LastName>Kumar</LastName><ForeName>Vipin B S</ForeName><Initials>VBS</Initials><AffiliationInfo><Affiliation>Department of Chemistry, Visvesvaraya National Institute of Technology, Nagpur 440 010, Maharashtra, India.</Affiliation></AffiliationInfo></Author><Author ValidYN="Y"><LastName>Bhandary</LastName><ForeName>Subhrajyoti</ForeName><Initials>S</Initials><AffiliationInfo><Affiliation>Department of Chemistry, Indian Institute of Science Education and Research Bhopal, Bhauri, Bhopal 462 066, Madhya Pradesh, India.</Affiliation></AffiliationInfo></Author><Author ValidYN="Y"><LastName>Venugopala</LastName><ForeName>Katharigatta N</ForeName><Initials>KN</Initials><Identifier Source="ORCID">https://orcid.org/0000-0003-0680-1549</Identifier><AffiliationInfo><Affiliation>Department of Biotechnology and Food Technology, Durban University of Technology, Durban 4001, South Africa.</Affiliation></AffiliationInfo></Author><Author ValidYN="Y"><LastName>Nayak</LastName><ForeName>Susanta K</ForeName><Initials>SK</Initials><Identifier Source="ORCID">https://orcid.org/0000-0002-3175-9007</Identifier><AffiliationInfo><Affiliation>Department of Chemistry, Visvesvaraya National Institute of Technology, Nagpur 440 010, Maharashtra, India.</Affiliation></AffiliationInfo></Author></AuthorList><Language>eng</Language><PublicationTypeList><PublicationType UI="D016428">Journal Article</PublicationType></PublicationTypeList><ArticleDate DateType="Electronic"><Year>2018</Year><Month>07</Month><Day>20</Day></ArticleDate></Article><MedlineJournalInfo><Country>England</Country><MedlineTA>Acta Crystallogr E Crystallogr Commun</MedlineTA><NlmUniqueID>101648987</NlmUniqueID></MedlineJournalInfo><KeywordList Owner="NOTNLM"><Keyword MajorTopicYN="N">C—I⋯π(ring) interactions</Keyword><Keyword MajorTopicYN="N">benzamide</Keyword><Keyword MajorTopicYN="N">crystal structure</Keyword><Keyword MajorTopicYN="N">dimer</Keyword><Keyword MajorTopicYN="N">hydrogen bonds</Keyword><Keyword MajorTopicYN="N">tetramer</Keyword></KeywordList></MedlineCitation><PubmedData><History><PubMedPubDate PubStatus="received"><Year>2018</Year><Month>06</Month><Day>11</Day></PubMedPubDate><PubMedPubDate 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