View in EDS

Structure of 2-chloro-N-(p-tolyl)propanamide.

Saved in:
Bibliographic Details
Title: Structure of 2-chloro-N-(p-tolyl)propanamide.
Authors: Jones, Roderick C.1 roderick.jones@ucd.ie, Twamley, Brendan2
Source: Acta Crystallographica Section E: Crystallographic Communications. Nov2018, Vol. 74 Issue 11, p1584-1588. 13p.
Subjects: Crystal structure, Amides, Phenyl compounds, Crystallization, Acetamide, Chemical bonds
Abstract: Two independent samples of the title compound, alternatively 2-chloro-N-(4-methylphenyl)prop­an­amide, C10H12ClNO, 1, were studied using Cu Kα, 1a, and Mo Kα, 1b, radiation as part of a continuous crystallization study. The mol­ecule crystallizes with disorder in the Cl/terminal methyl positions [occupancies for the major disorder component of 0.783 (2) in 1a and and 0.768 (2) in 1b] and exhibits N--C bond lengths of 1.3448 (19), 1.344 (2) Å, C=O bond lengths of 1.2233 (18) and 1.2245 (19) Å and an acetamide moiety C--N--C--C torsion angle of 179.00 (13), 178.97 (14) ° for 1a and 1b, respectively. In the crystal, chains along the a axis are formed via N--H...O hydrogen bonds between acetamide groups, as well as C--H...O inter­actions. These chains arrange themselves into parallel running stacks which display weak C--Cl...O=C halogen bonding as well as weak C--H...π inter­actions. [ABSTRACT FROM AUTHOR]
Copyright of Acta Crystallographica Section E: Crystallographic Communications is the property of International Union of Crystallography - IUCr and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)
Database: Engineering Source
FullText Text:
  Availability: 0
Header DbId: egs
DbLabel: Engineering Source
An: 132886744
AccessLevel: 6
PubType: Academic Journal
PubTypeId: academicJournal
PreciseRelevancyScore: 0
IllustrationInfo
Items – Name: Title
  Label: Title
  Group: Ti
  Data: Structure of 2-chloro-N-(p-tolyl)propanamide.
– Name: Author
  Label: Authors
  Group: Au
  Data: <searchLink fieldCode="AR" term="%22Jones%2C+Roderick+C%2E%22">Jones, Roderick C.</searchLink><relatesTo>1</relatesTo><i> roderick.jones@ucd.ie</i><br /><searchLink fieldCode="AR" term="%22Twamley%2C+Brendan%22">Twamley, Brendan</searchLink><relatesTo>2</relatesTo>
– Name: TitleSource
  Label: Source
  Group: Src
  Data: <searchLink fieldCode="JN" term="%22Acta+Crystallographica+Section+E%3A+Crystallographic+Communications%22">Acta Crystallographica Section E: Crystallographic Communications</searchLink>. Nov2018, Vol. 74 Issue 11, p1584-1588. 13p.
– Name: Subject
  Label: Subjects
  Group: Su
  Data: <searchLink fieldCode="DE" term="%22Crystal+structure%22">Crystal structure</searchLink><br /><searchLink fieldCode="DE" term="%22Amides%22">Amides</searchLink><br /><searchLink fieldCode="DE" term="%22Phenyl+compounds%22">Phenyl compounds</searchLink><br /><searchLink fieldCode="DE" term="%22Crystallization%22">Crystallization</searchLink><br /><searchLink fieldCode="DE" term="%22Acetamide%22">Acetamide</searchLink><br /><searchLink fieldCode="DE" term="%22Chemical+bonds%22">Chemical bonds</searchLink>
– Name: Abstract
  Label: Abstract
  Group: Ab
  Data: Two independent samples of the title compound, alternatively 2-chloro-N-(4-methylphenyl)prop­an­amide, C10H12ClNO, 1, were studied using Cu Kα, 1a, and Mo Kα, 1b, radiation as part of a continuous crystallization study. The mol­ecule crystallizes with disorder in the Cl/terminal methyl positions [occupancies for the major disorder component of 0.783 (2) in 1a and and 0.768 (2) in 1b] and exhibits N--C bond lengths of 1.3448 (19), 1.344 (2) Å, C=O bond lengths of 1.2233 (18) and 1.2245 (19) Å and an acetamide moiety C--N--C--C torsion angle of 179.00 (13), 178.97 (14) ° for 1a and 1b, respectively. In the crystal, chains along the a axis are formed via N--H...O hydrogen bonds between acetamide groups, as well as C--H...O inter­actions. These chains arrange themselves into parallel running stacks which display weak C--Cl...O=C halogen bonding as well as weak C--H...π inter­actions. [ABSTRACT FROM AUTHOR]
– Name: AbstractSuppliedCopyright
  Label:
  Group: Ab
  Data: <i>Copyright of Acta Crystallographica Section E: Crystallographic Communications is the property of International Union of Crystallography - IUCr and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.)
PLink https://search.ebscohost.com/login.aspx?direct=true&site=eds-live&db=egs&AN=132886744
RecordInfo BibRecord:
  BibEntity:
    Identifiers:
      – Type: doi
        Value: 10.1107/S2056989018013889
    Languages:
      – Code: eng
        Text: English
    PhysicalDescription:
      Pagination:
        PageCount: 13
        StartPage: 1584
    Subjects:
      – SubjectFull: Crystal structure
        Type: general
      – SubjectFull: Amides
        Type: general
      – SubjectFull: Phenyl compounds
        Type: general
      – SubjectFull: Crystallization
        Type: general
      – SubjectFull: Acetamide
        Type: general
      – SubjectFull: Chemical bonds
        Type: general
    Titles:
      – TitleFull: Structure of 2-chloro-N-(p-tolyl)propanamide.
        Type: main
  BibRelationships:
    HasContributorRelationships:
      – PersonEntity:
          Name:
            NameFull: Jones, Roderick C.
      – PersonEntity:
          Name:
            NameFull: Twamley, Brendan
    IsPartOfRelationships:
      – BibEntity:
          Dates:
            – D: 01
              M: 11
              Text: Nov2018
              Type: published
              Y: 2018
          Identifiers:
            – Type: issn-print
              Value: 20569890
          Numbering:
            – Type: volume
              Value: 74
            – Type: issue
              Value: 11
          Titles:
            – TitleFull: Acta Crystallographica Section E: Crystallographic Communications
              Type: main
ResultId 1