Crystal structure of isobutyl 4-(2-chloro-phenyl)-5-cyano-6-{(E)-[(dimethylamino)-methylidene]amino}-2-methyl-4H-pyran-3-carboxylate

T. Mohandas; C. Udhaya Kumar; S. Aruna Devi; B. Arul Prakasam; P. Sakthivel; T. Vidhyasagar; W. T A Harrison

doi:10.1107/S2056989015000079

Crystal structure of isobutyl 4-(2-chloro-phenyl)-5-cyano-6-{(E)-[(dimethylamino)-methylidene]amino}-2-methyl-4H-pyran-3-carboxylate

T. Mohandas, C. Udhaya Kumar, S. Aruna Devi, B. Arul Prakasam, P. Sakthivel^*, T. Vidhyasagar, W. T A Harrison (Editor)

^*Corresponding author for this work

Chemistry

Research output: Contribution to journal › Article › peer-review

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Abstract

In the title compound, C₂₁H₂₄ClN₃O₃, the dihedral angle between the pyran ring (r.m.s. deviation = 0.037 Å) and the chlorobenzene ring is 88.56 (14)°. In the crystal, the molecules are linked by C - H⋯O interactions, generating C(7) (001) chains.

Original language	English
Pages (from-to)	o101-o102
Number of pages	2
Journal	Acta Crystallographica Section E: Structure Reports Online
Volume	71
Issue number	2
Early online date	10 Jan 2015
DOIs	https://doi.org/10.1107/S2056989015000079
Publication status	Published - 1 Feb 2015

Bibliographical note

The authors thank Dr Babu Varghese, Senior Scientific Officer SAIF, IIT Madras, India, for carrying out the data collection.

Keywords

C - H⋯O interactions
Crystal structure
Pyran derivative

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10.1107/S2056989015000079Licence: CC BY

Crystal structure of isobutyl 4-(2-chlorophenyl)-5-cyano-6-{(E)-[(dimethylamino)methylidene]amino}-2-methyl-4H-pyran-3-carboxylate
© 2015 Mohandaset al. Licence: Creative Commons Attribution (CC-BY) https://creativecommons.org/licenses/by/4.0/
Final published version, 343 KBLicence: CC BY

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Mohandas, T., Udhaya Kumar, C., Aruna Devi, S., Arul Prakasam, B., Sakthivel, P., Vidhyasagar, T., & Harrison, W. T. A. (Ed.) (2015). Crystal structure of isobutyl 4-(2-chloro-phenyl)-5-cyano-6-{(E)-[(dimethylamino)-methylidene]amino}-2-methyl-4H-pyran-3-carboxylate. Acta Crystallographica Section E: Structure Reports Online, 71(2), o101-o102. https://doi.org/10.1107/S2056989015000079

Mohandas, T, Udhaya Kumar, C, Aruna Devi, S, Arul Prakasam, B, Sakthivel, P, Vidhyasagar, T & Harrison, WTA (ed.) 2015, 'Crystal structure of isobutyl 4-(2-chloro-phenyl)-5-cyano-6-{(E)-[(dimethylamino)-methylidene]amino}-2-methyl-4H-pyran-3-carboxylate', Acta Crystallographica Section E: Structure Reports Online, vol. 71, no. 2, pp. o101-o102. https://doi.org/10.1107/S2056989015000079

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abstract = "In the title compound, C21H24ClN3O3, the dihedral angle between the pyran ring (r.m.s. deviation = 0.037 {\AA}) and the chlorobenzene ring is 88.56 (14)°. In the crystal, the molecules are linked by C - H⋯O interactions, generating C(7) (001) chains.",

keywords = "C - H⋯O interactions, Crystal structure, Pyran derivative",

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note = "The authors thank Dr Babu Varghese, Senior Scientific Officer SAIF, IIT Madras, India, for carrying out the data collection.",

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AU - Mohandas, T.

AU - Udhaya Kumar, C.

AU - Aruna Devi, S.

AU - Arul Prakasam, B.

AU - Sakthivel, P.

AU - Vidhyasagar, T.

A2 - Harrison, W. T A

N1 - The authors thank Dr Babu Varghese, Senior Scientific Officer SAIF, IIT Madras, India, for carrying out the data collection.

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N2 - In the title compound, C21H24ClN3O3, the dihedral angle between the pyran ring (r.m.s. deviation = 0.037 Å) and the chlorobenzene ring is 88.56 (14)°. In the crystal, the molecules are linked by C - H⋯O interactions, generating C(7) (001) chains.

AB - In the title compound, C21H24ClN3O3, the dihedral angle between the pyran ring (r.m.s. deviation = 0.037 Å) and the chlorobenzene ring is 88.56 (14)°. In the crystal, the molecules are linked by C - H⋯O interactions, generating C(7) (001) chains.

KW - C - H⋯O interactions

KW - Crystal structure

KW - Pyran derivative

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Crystal structure of isobutyl 4-(2-chloro-phenyl)-5-cyano-6-{(E)-[(dimethylamino)-methylidene]amino}-2-methyl-4H-pyran-3-carboxylate

Abstract

Bibliographical note

Keywords

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