crystal structure of 2-(4-chloro-3-fluorophenyl)-1h-benzimidazole

البنية البلورية لـ 2-(4-كلورو-3-فلوروفينيل)-1H-بنزيميدازول

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ID: 144921
2015
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Abstract
In the title compound, C13H8ClFN2, the dihedral angle between the plane of the benzimidazole ring system (r.m.s. deviation = 0.022 Å) and the benzene ring is 26.90 (8)°. The F atom at the meta position of the benzene ring is disordered over two sites in a 0.843 (4):0.157 (4) ratio. In the crystal, molecules are linked by N—H...N hydrogen bonds, forming infinite C(4) chains propagating along [010]. In addition, weak C—H...π and π–π interactions [shortest centroid–centroid separation = 3.6838 (12) Å] are observed, which link the chains into a three-dimensional network.
في مركب العنوان، C13H8ClFN2، تبلغ الزاوية ثنائية السطح بين مستوي نظام حلقة البنزيميدازول (انحراف جذر متوسط المربعات = 0.022 Å) وحلقة البنزين 26.90 (8)°. وتُظهر ذرة الفلور (F) في الموضع ميتا من حلقة البنزين اضطراباً موضعياً على موقعين بنسبة 0.843 (4) : 0.157 (4). وفي البلورة، ترتبط الجزيئات بروابط هيدروجينية من النوع N—H...N، مُشكِّلةً سلاسل C(4) لامتناهية تمتد على طول [010]. بالإضافة إلى ذلك، تُلاحَظ تآثرات ضعيفة من النوعين C—H...π و π–π [أقصر مسافة فاصلة بين مركزي الثقل = 3.6838 (12) Å]، والتي تربط السلاسل في شبكة ثلاثية الأبعاد.
Reference Key
krishnamurthy2015actacrystal1 Use this key to autocite in the manuscript while using SciMatic Manuscript Manager or Thesis Manager
Authors ;M. S. Krishnamurthy;Noor Shahina Begum
Journal Disability and rehabilitation
Year 2015
DOI
10.1107/S2056989015008683
URL
http://scripts.iucr.org/cgi-bin/paper?S2056989015008683
Keywords
crystal structure hydrogen bonding benzimidazole

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