Crystal structure of [4-(chloro-meth-yl)phen-yl](4-hy-droxy-piperidin-1-yl)methanone
The title compound, C13H16ClNO2, crystallized with two independent mol-ecules in the asymmetric unit (A and B). The piperidinol ring in mol-ecule B is disordered over two positions with a site occupancy ratio of 0.667 (5):0.333 (5). In both mol-ecules these rings have a chair conformation, including...
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Published in | Acta crystallographica. Section E, Crystallographic communications Vol. 71; no. Pt 10; pp. o703 - o704 |
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Main Authors | , , , , |
Format | Journal Article |
Language | English |
Published |
England
International Union of Crystallography
01.10.2015
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Abstract | The title compound, C13H16ClNO2, crystallized with two independent mol-ecules in the asymmetric unit (A and B). The piperidinol ring in mol-ecule B is disordered over two positions with a site occupancy ratio of 0.667 (5):0.333 (5). In both mol-ecules these rings have a chair conformation, including the minor component in mol-ecule B. Their mean planes are inclined to the benzene ring by 45.57 (13)° in mol-ecule A, and by 50.5 (4)° for the major component of the piperidine ring in mol-ecule B. In the crystal, the individual mol-ecules are linked by O-H⋯O hydrogen bonds, forming chains of A and B mol-ecules along the [100] direction. The chains are inter-linked by C-H⋯O hydrogen bonds, forming ribbons. |
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AbstractList | The title compound, C
13
H
16
ClNO
2
, crystallized with two independent molecules in the asymmetric unit (
A
and
B
). The piperidinol ring in molecule
B
is disordered over two positions with a site occupancy ratio of 0.667 (5):0.333 (5). In both molecules these rings have a chair conformation, including the minor component in molecule
B
. Their mean planes are inclined to the benzene ring by 45.57 (13)° in molecule
A
, and by 50.5 (4)° for the major component of the piperidine ring in molecule
B
. In the crystal, the individual molecules are linked by O—H⋯O hydrogen bonds, forming chains of
A
and
B
molecules along the [100] direction. The chains are interlinked by C—H⋯O hydrogen bonds, forming ribbons. The title compound, C13H16ClNO2, crystallized with two independent mol-ecules in the asymmetric unit (A and B). The piperidinol ring in mol-ecule B is disordered over two positions with a site occupancy ratio of 0.667 (5):0.333 (5). In both mol-ecules these rings have a chair conformation, including the minor component in mol-ecule B. Their mean planes are inclined to the benzene ring by 45.57 (13)° in mol-ecule A, and by 50.5 (4)° for the major component of the piperidine ring in mol-ecule B. In the crystal, the individual mol-ecules are linked by O-H⋯O hydrogen bonds, forming chains of A and B mol-ecules along the [100] direction. The chains are inter-linked by C-H⋯O hydrogen bonds, forming ribbons. The title compound, C13H16ClNO2, crystallized with two independent molecules in the asymmetric unit (A and B). The piperidinol ring in molecule B is disordered over two positions with a site occupancy ratio of 0.667 (5):0.333 (5). In both molecules these rings have a chair conformation, including the minor component in molecule B. Their mean planes are inclined to the benzene ring by 45.57 (13)° in molecule A, and by 50.5 (4)° for the major component of the piperidine ring in molecule B. In the crystal, the individual molecules are linked by O—H...O hydrogen bonds, forming chains of A and B molecules along the [100] direction. The chains are interlinked by C—H...O hydrogen bonds, forming ribbons. The title compound, C 13 H 16 ClNO 2 , crystallized with two independent molecules in the asymmetric unit ( A and B ). The piperidinol ring in molecule B is disordered over two positions with a site occupancy ratio of 0.667 (5):0.333 (5). In both molecules these rings have a chair conformation, including the minor component in molecule B . Their mean planes are inclined to the benzene ring by 45.57 (13)° in molecule A , and by 50.5 (4)° for the major component of the piperidine ring in molecule B . In the crystal, the individual molecules are linked by O—H...O hydrogen bonds, forming chains of A and B molecules along the [100] direction. The chains are interlinked by C—H...O hydrogen bonds, forming ribbons. |
Author | Revathi, B K Dhanalakshmi, K Usha, G Reuben Jonathan, D Kalai Sevi, K |
Author_xml | – sequence: 1 givenname: B K surname: Revathi fullname: Revathi, B K organization: PG and Research Department of Physics, Queen Mary's College, Chennai-4, Tamilnadu, India – sequence: 2 givenname: D surname: Reuben Jonathan fullname: Reuben Jonathan, D organization: Department of Chemistry, Madras Christian College, Chennai-59, India – sequence: 3 givenname: K surname: Kalai Sevi fullname: Kalai Sevi, K organization: SCRI, Anna hospital Campus, Chennai-106, Tamilnadu, India – sequence: 4 givenname: K surname: Dhanalakshmi fullname: Dhanalakshmi, K organization: Anna Siddha Medical College, Chennai-106, Tamilnadu, India – sequence: 5 givenname: G surname: Usha fullname: Usha, G organization: PG and Research Department of Physics, Queen Mary's College, Chennai-4, Tamilnadu, India |
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Cites_doi | 10.1107/S0021889892010331 10.1107/S2053229614024218 10.1097/00000539-200012000-00038 10.1107/S0108768102003324 10.1107/S2056989014026851 10.1107/S2056989015007653 10.1107/S0021889812029111 10.1021/jm980028+ 10.1016/0040-4020(95)00254-6 |
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Keywords | piperidine derivative crystal structure hydrogen bonding |
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Snippet | The title compound, C13H16ClNO2, crystallized with two independent mol-ecules in the asymmetric unit (A and B). The piperidinol ring in mol-ecule B is... The title compound, C 13 H 16 ClNO 2 , crystallized with two independent molecules in the asymmetric unit ( A and B ). The piperidinol ring in molecule B is... The title compound, C 13 H 16 ClNO 2 , crystallized with two independent molecules in the asymmetric unit ( A and B ). The piperidinol ring in molecule B is... The title compound, C13H16ClNO2, crystallized with two independent molecules in the asymmetric unit (A and B). The piperidinol ring in molecule B is disordered... |
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SubjectTerms | crystal structure Data Reports hydrogen bonding piperidine derivative |
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Title | Crystal structure of [4-(chloro-meth-yl)phen-yl](4-hy-droxy-piperidin-1-yl)methanone |
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