Synthesis and Crystal Structure of 7,8,9,10-Tetrahydro-2-bromo-cyclohepta[b]indol-6(5H)-one
The title compound, C 13 H 12 BrNO, was synthesized and characterised by IR, 1 H and 13 C NMR spectroscopy. The proposed structure was confirmed by single crystal X-ray diffraction. The single crystal data revealed that the compound crystallizes in the triclinic system, sp. gr. P 1, with Z = 2. The...
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| Veröffentlicht in: | Crystallography reports 2017-12, Vol.62 (7), p.1066-1070 |
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| container_title | Crystallography reports |
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| creator | Amuthavalli, A. Edison, D. Prakash, B. Sivaramkumar, M. S. Velmurgan, R. |
| description | The title compound, C
13
H
12
BrNO, was synthesized and characterised by IR,
1
H and
13
C NMR spectroscopy. The proposed structure was confirmed by single crystal X-ray diffraction. The single crystal data revealed that the compound crystallizes in the triclinic system, sp. gr.
P
1, with Z = 2. The sevenmembered ring exhibits a slightly distorted envelope conformation. N–H···O hydrogen bonds form a centrosymmetric dimer, these interactions create a stair-like chain of molecules that interacts only loosely with neighbouring chains via van der Waals interactions, and C–H···π contacts are found in the crystal structure. |
| doi_str_mv | 10.1134/S1063774517070033 |
| format | Article |
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13
H
12
BrNO, was synthesized and characterised by IR,
1
H and
13
C NMR spectroscopy. The proposed structure was confirmed by single crystal X-ray diffraction. The single crystal data revealed that the compound crystallizes in the triclinic system, sp. gr.
P
1, with Z = 2. The sevenmembered ring exhibits a slightly distorted envelope conformation. N–H···O hydrogen bonds form a centrosymmetric dimer, these interactions create a stair-like chain of molecules that interacts only loosely with neighbouring chains via van der Waals interactions, and C–H···π contacts are found in the crystal structure.</description><identifier>ISSN: 1063-7745</identifier><identifier>EISSN: 1562-689X</identifier><identifier>DOI: 10.1134/S1063774517070033</identifier><language>eng</language><publisher>Moscow: Pleiades Publishing</publisher><subject>CARBON 13 ; Chains ; Chemical bonds ; CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY ; CRYSTAL STRUCTURE ; Crystallography and Scattering Methods ; DIMERS ; HYDROGEN ; HYDROGEN 5 ; Hydrogen bonds ; INFRARED SPECTRA ; INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY ; INTERACTIONS ; MOLECULES ; MONOCRYSTALS ; NMR ; NMR spectroscopy ; NUCLEAR MAGNETIC RESONANCE ; Physics ; Physics and Astronomy ; RINGS ; Single crystals ; SPECTROSCOPY ; Structure of Organic Compounds ; SYNTHESIS ; VAN DER WAALS FORCES ; X-RAY DIFFRACTION</subject><ispartof>Crystallography reports, 2017-12, Vol.62 (7), p.1066-1070</ispartof><rights>Pleiades Publishing, Inc. 2017</rights><rights>Copyright Springer Science & Business Media 2017</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><cites>FETCH-LOGICAL-c333t-23f678617c12a532f8bf5c75bea6f3ac3438f1891092c73d5eb93a1e2b9423d63</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktopdf>$$Uhttps://link.springer.com/content/pdf/10.1134/S1063774517070033$$EPDF$$P50$$Gspringer$$H</linktopdf><linktohtml>$$Uhttps://link.springer.com/10.1134/S1063774517070033$$EHTML$$P50$$Gspringer$$H</linktohtml><link.rule.ids>230,314,776,780,881,27901,27902,41464,42533,51294</link.rule.ids><backlink>$$Uhttps://www.osti.gov/biblio/22758304$$D View this record in Osti.gov$$Hfree_for_read</backlink></links><search><creatorcontrib>Amuthavalli, A.</creatorcontrib><creatorcontrib>Edison, D.</creatorcontrib><creatorcontrib>Prakash, B.</creatorcontrib><creatorcontrib>Sivaramkumar, M. S.</creatorcontrib><creatorcontrib>Velmurgan, R.</creatorcontrib><title>Synthesis and Crystal Structure of 7,8,9,10-Tetrahydro-2-bromo-cyclohepta[b]indol-6(5H)-one</title><title>Crystallography reports</title><addtitle>Crystallogr. Rep</addtitle><description>The title compound, C
13
H
12
BrNO, was synthesized and characterised by IR,
1
H and
13
C NMR spectroscopy. The proposed structure was confirmed by single crystal X-ray diffraction. The single crystal data revealed that the compound crystallizes in the triclinic system, sp. gr.
P
1, with Z = 2. The sevenmembered ring exhibits a slightly distorted envelope conformation. N–H···O hydrogen bonds form a centrosymmetric dimer, these interactions create a stair-like chain of molecules that interacts only loosely with neighbouring chains via van der Waals interactions, and C–H···π contacts are found in the crystal structure.</description><subject>CARBON 13</subject><subject>Chains</subject><subject>Chemical bonds</subject><subject>CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY</subject><subject>CRYSTAL STRUCTURE</subject><subject>Crystallography and Scattering Methods</subject><subject>DIMERS</subject><subject>HYDROGEN</subject><subject>HYDROGEN 5</subject><subject>Hydrogen bonds</subject><subject>INFRARED SPECTRA</subject><subject>INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY</subject><subject>INTERACTIONS</subject><subject>MOLECULES</subject><subject>MONOCRYSTALS</subject><subject>NMR</subject><subject>NMR spectroscopy</subject><subject>NUCLEAR MAGNETIC RESONANCE</subject><subject>Physics</subject><subject>Physics and Astronomy</subject><subject>RINGS</subject><subject>Single crystals</subject><subject>SPECTROSCOPY</subject><subject>Structure of Organic Compounds</subject><subject>SYNTHESIS</subject><subject>VAN DER WAALS FORCES</subject><subject>X-RAY DIFFRACTION</subject><issn>1063-7745</issn><issn>1562-689X</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2017</creationdate><recordtype>article</recordtype><recordid>eNp1kMFLwzAYxYMoOKd_gLeCF4VFk3xNkx5lqBMGHjZBGFLSNHUdXTKT9ND_3o4JO4in78H7vcfHQ-iakntKIX1YUJKBECmngghCAE7QiPKM4UzmH6eDHmy898_RRQgbQoiUNB2h1aK3cW1CExJlq2Tq-xBVmyyi73TsvElcnYiJnOQTSvDSRK_WfeUdZrj0buuw7nXr1mYX1ar8bGzlWpzd8tkddtZcorNatcFc_d4xen9-Wk5neP728jp9nGMNABEzqDMhMyo0ZYoDq2VZcy14aVRWg9KQgqypzCnJmRZQcVPmoKhhZZ4yqDIYo5tDrwuxKYJuotFr7aw1OhaMCS6BpEdq5913Z0IsNq7zdnisYMMaKfCc5ANFD5T2LgRv6mLnm63yfUFJsV-6-LP0kGGHTBhY-2X8sfn_0A8-FXye</recordid><startdate>20171201</startdate><enddate>20171201</enddate><creator>Amuthavalli, A.</creator><creator>Edison, D.</creator><creator>Prakash, B.</creator><creator>Sivaramkumar, M. S.</creator><creator>Velmurgan, R.</creator><general>Pleiades Publishing</general><general>Springer Nature B.V</general><scope>AAYXX</scope><scope>CITATION</scope><scope>OTOTI</scope></search><sort><creationdate>20171201</creationdate><title>Synthesis and Crystal Structure of 7,8,9,10-Tetrahydro-2-bromo-cyclohepta[b]indol-6(5H)-one</title><author>Amuthavalli, A. ; Edison, D. ; Prakash, B. ; Sivaramkumar, M. S. ; Velmurgan, R.</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c333t-23f678617c12a532f8bf5c75bea6f3ac3438f1891092c73d5eb93a1e2b9423d63</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2017</creationdate><topic>CARBON 13</topic><topic>Chains</topic><topic>Chemical bonds</topic><topic>CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY</topic><topic>CRYSTAL STRUCTURE</topic><topic>Crystallography and Scattering Methods</topic><topic>DIMERS</topic><topic>HYDROGEN</topic><topic>HYDROGEN 5</topic><topic>Hydrogen bonds</topic><topic>INFRARED SPECTRA</topic><topic>INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY</topic><topic>INTERACTIONS</topic><topic>MOLECULES</topic><topic>MONOCRYSTALS</topic><topic>NMR</topic><topic>NMR spectroscopy</topic><topic>NUCLEAR MAGNETIC RESONANCE</topic><topic>Physics</topic><topic>Physics and Astronomy</topic><topic>RINGS</topic><topic>Single crystals</topic><topic>SPECTROSCOPY</topic><topic>Structure of Organic Compounds</topic><topic>SYNTHESIS</topic><topic>VAN DER WAALS FORCES</topic><topic>X-RAY DIFFRACTION</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Amuthavalli, A.</creatorcontrib><creatorcontrib>Edison, D.</creatorcontrib><creatorcontrib>Prakash, B.</creatorcontrib><creatorcontrib>Sivaramkumar, M. S.</creatorcontrib><creatorcontrib>Velmurgan, R.</creatorcontrib><collection>CrossRef</collection><collection>OSTI.GOV</collection><jtitle>Crystallography reports</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Amuthavalli, A.</au><au>Edison, D.</au><au>Prakash, B.</au><au>Sivaramkumar, M. S.</au><au>Velmurgan, R.</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Synthesis and Crystal Structure of 7,8,9,10-Tetrahydro-2-bromo-cyclohepta[b]indol-6(5H)-one</atitle><jtitle>Crystallography reports</jtitle><stitle>Crystallogr. Rep</stitle><date>2017-12-01</date><risdate>2017</risdate><volume>62</volume><issue>7</issue><spage>1066</spage><epage>1070</epage><pages>1066-1070</pages><issn>1063-7745</issn><eissn>1562-689X</eissn><abstract>The title compound, C
13
H
12
BrNO, was synthesized and characterised by IR,
1
H and
13
C NMR spectroscopy. The proposed structure was confirmed by single crystal X-ray diffraction. The single crystal data revealed that the compound crystallizes in the triclinic system, sp. gr.
P
1, with Z = 2. The sevenmembered ring exhibits a slightly distorted envelope conformation. N–H···O hydrogen bonds form a centrosymmetric dimer, these interactions create a stair-like chain of molecules that interacts only loosely with neighbouring chains via van der Waals interactions, and C–H···π contacts are found in the crystal structure.</abstract><cop>Moscow</cop><pub>Pleiades Publishing</pub><doi>10.1134/S1063774517070033</doi><tpages>5</tpages></addata></record> |
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| ispartof | Crystallography reports, 2017-12, Vol.62 (7), p.1066-1070 |
| issn | 1063-7745 1562-689X |
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| source | SpringerLink Journals |
| subjects | CARBON 13 Chains Chemical bonds CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY CRYSTAL STRUCTURE Crystallography and Scattering Methods DIMERS HYDROGEN HYDROGEN 5 Hydrogen bonds INFRARED SPECTRA INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY INTERACTIONS MOLECULES MONOCRYSTALS NMR NMR spectroscopy NUCLEAR MAGNETIC RESONANCE Physics Physics and Astronomy RINGS Single crystals SPECTROSCOPY Structure of Organic Compounds SYNTHESIS VAN DER WAALS FORCES X-RAY DIFFRACTION |
| title | Synthesis and Crystal Structure of 7,8,9,10-Tetrahydro-2-bromo-cyclohepta[b]indol-6(5H)-one |
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